21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene

C280H159N25 — CID 159168200

IUPAC21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n7c8ccccc8c(c54)c67)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6cc7ccccc7cc6n6c7ccccc7c(c43)c56)nc3ccccc23)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n7c8ccccc8c(c54)c67)nc4ccccc34)ccc2c1.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n(-c4nc(-c5cc6ccccc6c6ccccc56)c5ccccc5n4)c2c2c4ccccc4n3c12.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)c2c2c4ccccc4n3c12.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n(-c4nc(-n5c6ccccc6c6ccccc65)c5ccccc5n4)c2c2c4ccccc4n3c12
InChIInChI=1S/C50H28N4.C48H27N5.C48H28N4.2C46H26N4.C42H24N4/c1-2-14-30-27-45-38(25-29(30)13-1)41-28-40-35-19-8-11-23-43(35)54(49(40)46-37-21-9-12-24-44(37)53(45)48(41)46)50-51-42-22-10-7-20-36(42)47(52-50)39-26-31-15-3-4-16-32(31)33-17-5-6-18-34(33)39;1-2-14-29-26-43-35(25-28(29)13-1)37-27-36-32-17-6-11-23-41(32)53(46(36)44-34-19-7-12-24-42(34)51(43)45(37)44)48-49-38-20-8-3-18-33(38)47(50-48)52-39-21-9-4-15-30(39)31-16-5-10-22-40(31)52;1-2-12-29(13-3-1)30-22-24-31(25-23-30)45-35-17-6-9-19-40(35)49-48(50-45)52-41-20-10-7-16-34(41)38-28-39-37-26-32-14-4-5-15-33(32)27-43(37)51-42-21-11-8-18-36(42)44(46(39)51)47(38)52;1-2-14-29-25-41-35(24-28(29)13-1)37-26-36-31-17-6-9-22-39(31)50(45(36)42-34-19-7-10-23-40(34)49(41)44(37)42)46-47-38-21-8-5-18-33(38)43(48-46)32-20-11-15-27-12-3-4-16-30(27)32;1-2-12-28-23-31(22-21-27(28)11-1)43-33-16-5-8-18-38(33)47-46(48-43)50-39-19-9-6-15-32(39)36-26-37-35-24-29-13-3-4-14-30(29)25-41(35)49-40-20-10-7-17-34(40)42(44(37)49)45(36)50;1-2-12-25(13-3-1)39-29-17-6-9-19-34(29)43-42(44-39)46-35-20-10-7-16-28(35)32-24-33-31-22-26-14-4-5-15-27(26)23-37(31)45-36-21-11-8-18-30(36)38(40(33)45)41(32)46/h1-28H;1-27H;1-28H;2*1-26H;1-24H
InChIKeyKLIOZSUFBZDCFX-UHFFFAOYSA-N
MW3873.53 g/mol
LogP71.89
Rot. Bonds13

About 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene

21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene (PubChem CID 159168200) has the molecular formula C280H159N25 and a molecular weight of 3873.53 g/mol. Its IUPAC name is 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene
PubChem CID159168200
Molecular FormulaC280H159N25
Molecular Weight3873.53 g/mol
Exact Mass3870.32
IUPAC Name21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n7c8ccccc8c(c54)c67)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6cc7ccccc7cc6n6c7ccccc7c(c43)c56)nc3ccccc23)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n7c8ccccc8c(c54)c67)nc4ccccc34)ccc2c1.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n(-c4nc(-c5cc6ccccc6c6ccccc56)c5ccccc5n4)c2c2c4ccccc4n3c12.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)c2c2c4ccccc4n3c12.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n(-c4nc(-n5c6ccccc6c6ccccc65)c5ccccc5n4)c2c2c4ccccc4n3c12
InChIInChI=1S/C50H28N4.C48H27N5.C48H28N4.2C46H26N4.C42H24N4/c1-2-14-30-27-45-38(25-29(30)13-1)41-28-40-35-19-8-11-23-43(35)54(49(40)46-37-21-9-12-24-44(37)53(45)48(41)46)50-51-42-22-10-7-20-36(42)47(52-50)39-26-31-15-3-4-16-32(31)33-17-5-6-18-34(33)39;1-2-14-29-26-43-35(25-28(29)13-1)37-27-36-32-17-6-11-23-41(32)53(46(36)44-34-19-7-12-24-42(34)51(43)45(37)44)48-49-38-20-8-3-18-33(38)47(50-48)52-39-21-9-4-15-30(39)31-16-5-10-22-40(31)52;1-2-12-29(13-3-1)30-22-24-31(25-23-30)45-35-17-6-9-19-40(35)49-48(50-45)52-41-20-10-7-16-34(41)38-28-39-37-26-32-14-4-5-15-33(32)27-43(37)51-42-21-11-8-18-36(42)44(46(39)51)47(38)52;1-2-14-29-25-41-35(24-28(29)13-1)37-26-36-31-17-6-9-22-39(31)50(45(36)42-34-19-7-10-23-40(34)49(41)44(37)42)46-47-38-21-8-5-18-33(38)43(48-46)32-20-11-15-27-12-3-4-16-30(27)32;1-2-12-28-23-31(22-21-27(28)11-1)43-33-16-5-8-18-38(33)47-46(48-43)50-39-19-9-6-15-32(39)36-26-37-35-24-29-13-3-4-14-30(29)25-41(35)49-40-20-10-7-17-34(40)42(44(37)49)45(36)50;1-2-12-25(13-3-1)39-29-17-6-9-19-34(29)43-42(44-39)46-35-20-10-7-16-28(35)32-24-33-31-22-26-14-4-5-15-27(26)23-37(31)45-36-21-11-8-18-30(36)38(40(33)45)41(32)46/h1-28H;1-27H;1-28H;2*1-26H;1-24H
InChIKeyKLIOZSUFBZDCFX-UHFFFAOYSA-N
XLogP71.89
TPSA215.65 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms305
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003873.53
LogP ≤ 571.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene?
The IUPAC name of 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene (CID 159168200) is 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene.
What is the SMILES notation for 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene?
The canonical SMILES for 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n7c8ccccc8c(c54)c67)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6cc7ccccc7cc6n6c7ccccc7c(c43)c56)nc3ccccc23)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5cc6c7cc8ccccc8cc7n7c8ccccc8c(c54)c67)nc4ccccc34)ccc2c1.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n(-c4nc(-c5cc6ccccc6c6ccccc56)c5ccccc5n4)c2c2c4ccccc4n3c12.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)c2c2c4ccccc4n3c12.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n(-c4nc(-n5c6ccccc6c6ccccc65)c5ccccc5n4)c2c2c4ccccc4n3c12.
What is the InChIKey of 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene?
The InChIKey is KLIOZSUFBZDCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4.C48H27N5.C48H28N4.2C46H26N4.C42H24N4/c1-2-14-30-27-45-38(25-29(30)13-1)41-28-40-35-19-8-11-23-43(35)54(49(40)46-37-21-9-12-24-44(37)53(45)48(41)46)50-51-42-22-10-7-20-36(42)47(52-50)39-26-31-15-3-4-16-32(31)33-17-5-6-18-34(33)39;1-2-14-29-26-43-35(25-28(29)13-1)37-27-36-32-17-6-11-23-41(32)53(46(36)44-34-19-7-12-24-42(34)51(43)45(37)44)48-49-38-20-8-3-18-33(38)47(50-48)52-39-21-9-4-15-30(39)31-16-5-10-22-40(31)52;1-2-12-29(13-3-1)30-22-24-31(25-23-30)45-35-17-6-9-19-40(35)49-48(50-45)52-41-20-10-7-16-34(41)38-28-39-37-26-32-14-4-5-15-33(32)27-43(37)51-42-21-11-8-18-36(42)44(46(39)51)47(38)52;1-2-14-29-25-41-35(24-28(29)13-1)37-26-36-31-17-6-9-22-39(31)50(45(36)42-34-19-7-10-23-40(34)49(41)44(37)42)46-47-38-21-8-5-18-33(38)43(48-46)32-20-11-15-27-12-3-4-16-30(27)32;1-2-12-28-23-31(22-21-27(28)11-1)43-33-16-5-8-18-38(33)47-46(48-43)50-39-19-9-6-15-32(39)36-26-37-35-24-29-13-3-4-14-30(29)25-41(35)49-40-20-10-7-17-34(40)42(44(37)49)45(36)50;1-2-12-25(13-3-1)39-29-17-6-9-19-34(29)43-42(44-39)46-35-20-10-7-16-28(35)32-24-33-31-22-26-14-4-5-15-27(26)23-37(31)45-36-21-11-8-18-30(36)38(40(33)45)41(32)46/h1-28H;1-27H;1-28H;2*1-26H;1-24H.
What are the key properties of 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene?
21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene has a molecular weight of 3873.53 g/mol, XLogP of 71.89, 13 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 21-(4-carbazol-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-1-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-naphthalen-2-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenanthren-9-ylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene;21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene is sourced from PubChem (CID 159168200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).