13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene

C208H118N20 — CID 158517412

IUPAC13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-n5c6ccc7ccccc7c6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)nc5ccccc45)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccc7ccccc7c6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)nc5ccccc45)ccc32)cc1.c1ccc2c(c1)ccc1c2c2c3c4ccccc4n4c5ccccc5c(cc2n1-c1nnc(-n2c5ccccc5c5ccccc52)c2ccccc12)c34.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nnc(-n2c3ccc4ccccc4c3c3c4c5ccccc5n5c6ccccc6c(cc32)c45)c2ccccc12
InChIInChI=1S/2C54H31N5.C52H29N5.C48H27N5/c1-2-16-33(17-3-1)57-43-26-12-8-21-37(43)48-39(23-14-28-45(48)57)52-36-20-6-10-24-41(36)55-54(56-52)59-46-30-29-32-15-4-5-18-34(32)49(46)51-47(59)31-40-35-19-7-11-25-42(35)58-44-27-13-9-22-38(44)50(51)53(40)58;1-2-15-34(16-3-1)57-43-23-11-7-18-36(43)40-30-33(27-28-46(40)57)52-38-20-6-10-22-42(38)55-54(56-52)59-47-29-26-32-14-4-5-17-35(32)49(47)51-48(59)31-41-37-19-8-12-24-44(37)58-45-25-13-9-21-39(45)50(51)53(41)58;1-3-15-32-30(13-1)25-27-43-46(32)37-20-8-12-24-42(37)56(43)51-35-18-5-6-19-36(35)52(54-53-51)57-44-28-26-31-14-2-4-16-33(31)47(44)49-45(57)29-39-34-17-7-10-22-40(34)55-41-23-11-9-21-38(41)48(49)50(39)55;1-2-14-29-28(13-1)25-26-41-43(29)45-42(27-36-32-17-7-9-21-37(32)51-40-24-12-8-20-35(40)44(45)46(36)51)53(41)48-34-19-4-3-18-33(34)47(49-50-48)52-38-22-10-5-15-30(38)31-16-6-11-23-39(31)52/h2*1-31H;1-29H;1-27H
InChIKeyHLUKFQFFISUKPN-UHFFFAOYSA-N
MW2897.37 g/mol
LogP53.00
Rot. Bonds10

About 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene

13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene (PubChem CID 158517412) has the molecular formula C208H118N20 and a molecular weight of 2897.37 g/mol. Its IUPAC name is 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene.

Molecular Properties

Compound Name13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
PubChem CID158517412
Molecular FormulaC208H118N20
Molecular Weight2897.37 g/mol
Exact Mass2894.98
IUPAC Name13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-n5c6ccc7ccccc7c6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)nc5ccccc45)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccc7ccccc7c6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)nc5ccccc45)ccc32)cc1.c1ccc2c(c1)ccc1c2c2c3c4ccccc4n4c5ccccc5c(cc2n1-c1nnc(-n2c5ccccc5c5ccccc52)c2ccccc12)c34.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nnc(-n2c3ccc4ccccc4c3c3c4c5ccccc5n5c6ccccc6c(cc32)c45)c2ccccc12
InChIInChI=1S/2C54H31N5.C52H29N5.C48H27N5/c1-2-16-33(17-3-1)57-43-26-12-8-21-37(43)48-39(23-14-28-45(48)57)52-36-20-6-10-24-41(36)55-54(56-52)59-46-30-29-32-15-4-5-18-34(32)49(46)51-47(59)31-40-35-19-7-11-25-42(35)58-44-27-13-9-22-38(44)50(51)53(40)58;1-2-15-34(16-3-1)57-43-23-11-7-18-36(43)40-30-33(27-28-46(40)57)52-38-20-6-10-22-42(38)55-54(56-52)59-47-29-26-32-14-4-5-17-35(32)49(47)51-48(59)31-41-37-19-8-12-24-44(37)58-45-25-13-9-21-39(45)50(51)53(41)58;1-3-15-32-30(13-1)25-27-43-46(32)37-20-8-12-24-42(37)56(43)51-35-18-5-6-19-36(35)52(54-53-51)57-44-28-26-31-14-2-4-16-33(31)47(44)49-45(57)29-39-34-17-7-10-22-40(34)55-41-23-11-9-21-38(41)48(49)50(39)55;1-2-14-29-28(13-1)25-26-41-43(29)45-42(27-36-32-17-7-9-21-37(32)51-40-24-12-8-20-35(40)44(45)46(36)51)53(41)48-34-19-4-3-18-33(34)47(49-50-48)52-38-22-10-5-15-30(38)31-16-6-11-23-39(31)52/h2*1-31H;1-29H;1-27H
InChIKeyHLUKFQFFISUKPN-UHFFFAOYSA-N
XLogP53.00
TPSA160.20 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002897.37
LogP ≤ 553.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene with MolForge

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Related Compounds

13-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
CID 130259796
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
27-(4-naphthalen-1-ylquinazolin-2-yl)-12,27-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13,15,17,19(30),20(28),21,23,25-tetradecaene
CID 130258189
23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
CID 130259787
7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109046
4-[2-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)quinazolin-4-yl]benzonitrile
CID 130260550
14-phenyl-9-[4-(3-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165864
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149729
3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 157291705
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
7-[4-(6,9-diphenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
CID 158696637

Frequently Asked Questions

What is the IUPAC name of 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?
The IUPAC name of 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene (CID 158517412) is 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene.
What is the SMILES notation for 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?
The canonical SMILES for 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene is c1ccc(-n2c3ccccc3c3c(-c4nc(-n5c6ccc7ccccc7c6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)nc5ccccc45)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccc7ccccc7c6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)nc5ccccc45)ccc32)cc1.c1ccc2c(c1)ccc1c2c2c3c4ccccc4n4c5ccccc5c(cc2n1-c1nnc(-n2c5ccccc5c5ccccc52)c2ccccc12)c34.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nnc(-n2c3ccc4ccccc4c3c3c4c5ccccc5n5c6ccccc6c(cc32)c45)c2ccccc12.
What is the InChIKey of 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?
The InChIKey is HLUKFQFFISUKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H31N5.C52H29N5.C48H27N5/c1-2-16-33(17-3-1)57-43-26-12-8-21-37(43)48-39(23-14-28-45(48)57)52-36-20-6-10-24-41(36)55-54(56-52)59-46-30-29-32-15-4-5-18-34(32)49(46)51-47(59)31-40-35-19-7-11-25-42(35)58-44-27-13-9-22-38(44)50(51)53(40)58;1-2-15-34(16-3-1)57-43-23-11-7-18-36(43)40-30-33(27-28-46(40)57)52-38-20-6-10-22-42(38)55-54(56-52)59-47-29-26-32-14-4-5-17-35(32)49(47)51-48(59)31-41-37-19-8-12-24-44(37)58-45-25-13-9-21-39(45)50(51)53(41)58;1-3-15-32-30(13-1)25-27-43-46(32)37-20-8-12-24-42(37)56(43)51-35-18-5-6-19-36(35)52(54-53-51)57-44-28-26-31-14-2-4-16-33(31)47(44)49-45(57)29-39-34-17-7-10-22-40(34)55-41-23-11-9-21-38(41)48(49)50(39)55;1-2-14-29-28(13-1)25-26-41-43(29)45-42(27-36-32-17-7-9-21-37(32)51-40-24-12-8-20-35(40)44(45)46(36)51)53(41)48-34-19-4-3-18-33(34)47(49-50-48)52-38-22-10-5-15-30(38)31-16-6-11-23-39(31)52/h2*1-31H;1-29H;1-27H.
What are the key properties of 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?
13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene has a molecular weight of 2897.37 g/mol, XLogP of 53.00, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-benzo[c]carbazol-7-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-(4-carbazol-9-ylphthalazin-1-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 158517412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).