10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

C182H139N9O3 — CID 165035113

About 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene (PubChem CID 165035113) has the molecular formula C182H139N9O3 and a molecular weight of 2500.17 g/mol. Its IUPAC name is 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
• PubChem CID: 165035113
• Molecular Formula: C182H139N9O3
• Molecular Weight: 2500.17 g/mol
• Exact Mass: 2498.10
• IUPAC Name: 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)cc4c5ccccc5n-3c24)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc4c5ccccc5n-3c24)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4c5ccccc5n-3c24)cc1
• InChI: InChI=1S/C70H65N3O.C58H41N3O.C54H33N3O/c1-67(2,3)46-22-31-59-53(38-46)54-39-47(68(4,5)6)23-32-60(54)71(59)50-26-17-42(18-27-50)44-21-30-63-64(36-44)74-65-37-45(35-57-52-15-13-14-16-58(52)73(63)66(57)65)43-19-28-51(29-20-43)72-61-33-24-48(69(7,8)9)40-55(61)56-41-49(70(10,11)12)25-34-62(56)72;1-34-9-22-51-45(27-34)46-28-35(2)10-23-52(46)59(51)42-18-13-38(14-19-42)40-17-26-55-56(32-40)62-57-33-41(31-49-44-7-5-6-8-50(44)61(55)58(49)57)39-15-20-43(21-16-39)60-53-24-11-36(3)29-47(53)48-30-37(4)12-25-54(48)60;1-6-16-46-40(11-1)41-12-2-7-17-47(41)55(46)38-26-21-34(22-27-38)36-25-30-51-52(32-36)58-53-33-37(31-45-44-15-5-10-20-50(44)57(51)54(45)53)35-23-28-39(29-24-35)56-48-18-8-3-13-42(48)43-14-4-9-19-49(43)56/h13-41H,1-12H3;5-33H,1-4H3;1-33H
• InChIKey: NGMBAHHTWNOERU-UHFFFAOYSA-N
• XLogP: 49.68
• TPSA: 72.06 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2500.17
LogP ≤ 5	49.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?

The IUPAC name of 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene (CID 165035113) is 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene.

What is the SMILES notation for 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?

The canonical SMILES for 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)cc4c5ccccc5n-3c24)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)cc4c5ccccc5n-3c24)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4c5ccccc5n-3c24)cc1.

What is the InChIKey of 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?

The InChIKey is NGMBAHHTWNOERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H65N3O.C58H41N3O.C54H33N3O/c1-67(2,3)46-22-31-59-53(38-46)54-39-47(68(4,5)6)23-32-60(54)71(59)50-26-17-42(18-27-50)44-21-30-63-64(36-44)74-65-37-45(35-57-52-15-13-14-16-58(52)73(63)66(57)65)43-19-28-51(29-20-43)72-61-33-24-48(69(7,8)9)40-55(61)56-41-49(70(10,11)12)25-34-62(56)72;1-34-9-22-51-45(27-34)46-28-35(2)10-23-52(46)59(51)42-18-13-38(14-19-42)40-17-26-55-56(32-40)62-57-33-41(31-49-44-7-5-6-8-50(44)61(55)58(49)57)39-15-20-43(21-16-39)60-53-24-11-36(3)29-47(53)48-30-37(4)12-25-54(48)60;1-6-16-46-40(11-1)41-12-2-7-17-47(41)55(46)38-26-21-34(22-27-38)36-25-30-51-52(32-36)58-53-33-37(31-45-44-15-5-10-20-50(44)57(51)54(45)53)35-23-28-39(29-24-35)56-48-18-8-3-13-42(48)43-14-4-9-19-49(43)56/h13-41H,1-12H3;5-33H,1-4H3;1-33H.

What are the key properties of 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?

10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene has a molecular weight of 2500.17 g/mol, XLogP of 49.68, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10,16-bis(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;10,16-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene is sourced from PubChem (CID 165035113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).