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

C113H70N4O2 — CID 162152453

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

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 (PubChem CID 162152453) has the molecular formula C113H70N4O2 and a molecular weight of 1515.83 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162152453
• Molecular Formula: C113H70N4O2
• Molecular Weight: 1515.83 g/mol
• Exact Mass: 1514.55
• IUPAC Name: 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
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cccc7c6c6c8c(cccc8c8oc9ccccc9c8c65)-c5ccccc5-7)cc4)cc3)cc21.c1ccc2c(c1)-c1cccc3c4oc5ccccc5c4c4c(c13)c1c-2cccc1n4-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C61H40N2O.C52H30N2O/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/h3-36H,1-2H3;1-30H
• InChIKey: ZLJVSZCWGSYBGV-UHFFFAOYSA-N
• XLogP: 31.17
• TPSA: 44.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1515.83
LogP ≤ 5	31.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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?

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 (CID 162152453) 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.

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?

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 is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cccc7c6c6c8c(cccc8c8oc9ccccc9c8c65)-c5ccccc5-7)cc4)cc3)cc21.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?

The InChIKey is ZLJVSZCWGSYBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O.C52H30N2O/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/h3-36H,1-2H3;1-30H.

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?

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 has a molecular weight of 1515.83 g/mol, XLogP of 31.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 162152453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).