30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene

C153H94N6O2 — CID 159114662

IUPAC30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cccc7c6c6c8c(cccc8c8oc9ccccc9c8c65)-c5ccccc5-7)cc4)cc3)cc21.c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cccc3c2c2c5c-4cccc5ccc2n3-c2ccccc2)cc1.c1ccc2c(c1)-c1cccc3c4oc5ccccc5c4c4c(c13)c1c-2cccc1n4-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C61H40N2O.C52H30N2O.C40H24N2/c1-61(2)51-23-10-8-18-45(51)46-35-34-42(36-52(46)61)62(39-14-4-3-5-15-39)40-30-26-37(27-31-40)38-28-32-41(33-29-38)63-53-24-13-21-48-44-17-7-6-16-43(44)47-20-12-22-50-55(47)58(56(48)53)59(63)57-49-19-9-11-25-54(49)64-60(50)57;1-2-12-36-35(11-1)39-16-9-18-42-47(39)50-48-40(36)17-10-21-45(48)54(51(50)49-41-15-5-8-22-46(41)55-52(42)49)34-29-25-32(26-30-34)31-23-27-33(28-24-31)53-43-19-6-3-13-37(43)38-14-4-7-20-44(38)53;1-3-12-26(13-4-1)41-34-19-8-7-16-28(34)33-23-31-29-17-9-11-25-21-22-36-40(38(25)29)39-30(32(31)24-37(33)41)18-10-20-35(39)42(36)27-14-5-2-6-15-27/h3-36H,1-2H3;1-30H;1-24H
InChIKeyKEXVLOMOLHIMEM-UHFFFAOYSA-N
MW2048.47 g/mol
LogP41.86
Rot. Bonds10

About 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene

30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene (PubChem CID 159114662) has the molecular formula C153H94N6O2 and a molecular weight of 2048.47 g/mol. Its IUPAC name is 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene.

Molecular Properties

Compound Name30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
PubChem CID159114662
Molecular FormulaC153H94N6O2
Molecular Weight2048.47 g/mol
Exact Mass2046.74
IUPAC Name30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cccc7c6c6c8c(cccc8c8oc9ccccc9c8c65)-c5ccccc5-7)cc4)cc3)cc21.c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cccc3c2c2c5c-4cccc5ccc2n3-c2ccccc2)cc1.c1ccc2c(c1)-c1cccc3c4oc5ccccc5c4c4c(c13)c1c-2cccc1n4-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C61H40N2O.C52H30N2O.C40H24N2/c1-61(2)51-23-10-8-18-45(51)46-35-34-42(36-52(46)61)62(39-14-4-3-5-15-39)40-30-26-37(27-31-40)38-28-32-41(33-29-38)63-53-24-13-21-48-44-17-7-6-16-43(44)47-20-12-22-50-55(47)58(56(48)53)59(63)57-49-19-9-11-25-54(49)64-60(50)57;1-2-12-36-35(11-1)39-16-9-18-42-47(39)50-48-40(36)17-10-21-45(48)54(51(50)49-41-15-5-8-22-46(41)55-52(42)49)34-29-25-32(26-30-34)31-23-27-33(28-24-31)53-43-19-6-3-13-37(43)38-14-4-7-20-44(38)53;1-3-12-26(13-4-1)41-34-19-8-7-16-28(34)33-23-31-29-17-9-11-25-21-22-36-40(38(25)29)39-30(32(31)24-37(33)41)18-10-20-35(39)42(36)27-14-5-2-6-15-27/h3-36H,1-2H3;1-30H;1-24H
InChIKeyKEXVLOMOLHIMEM-UHFFFAOYSA-N
XLogP41.86
TPSA54.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms161
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002048.47
LogP ≤ 541.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene?
The IUPAC name of 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene (CID 159114662) is 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene.
What is the SMILES notation for 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene?
The canonical SMILES for 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cccc7c6c6c8c(cccc8c8oc9ccccc9c8c65)-c5ccccc5-7)cc4)cc3)cc21.c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cccc3c2c2c5c-4cccc5ccc2n3-c2ccccc2)cc1.c1ccc2c(c1)-c1cccc3c4oc5ccccc5c4c4c(c13)c1c-2cccc1n4-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene?
The InChIKey is KEXVLOMOLHIMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O.C52H30N2O.C40H24N2/c1-61(2)51-23-10-8-18-45(51)46-35-34-42(36-52(46)61)62(39-14-4-3-5-15-39)40-30-26-37(27-31-40)38-28-32-41(33-29-38)63-53-24-13-21-48-44-17-7-6-16-43(44)47-20-12-22-50-55(47)58(56(48)53)59(63)57-49-19-9-11-25-54(49)64-60(50)57;1-2-12-36-35(11-1)39-16-9-18-42-47(39)50-48-40(36)17-10-21-45(48)54(51(50)49-41-15-5-8-22-46(41)55-52(42)49)34-29-25-32(26-30-34)31-23-27-33(28-24-31)53-43-19-6-3-13-37(43)38-14-4-7-20-44(38)53;1-3-12-26(13-4-1)41-34-19-8-7-16-28(34)33-23-31-29-17-9-11-25-21-22-36-40(38(25)29)39-30(32(31)24-37(33)41)18-10-20-35(39)42(36)27-14-5-2-6-15-27/h3-36H,1-2H3;1-30H;1-24H.
What are the key properties of 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene?
30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene has a molecular weight of 2048.47 g/mol, XLogP of 41.86, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 159114662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).