17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene

C185H117N7O3 — CID 158332278

About 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene

17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene (PubChem CID 158332278) has the molecular formula C185H117N7O3 and a molecular weight of 2486.02 g/mol. Its IUPAC name is 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene.

Molecular Properties

• Compound Name: 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
• PubChem CID: 158332278
• Molecular Formula: C185H117N7O3
• Molecular Weight: 2486.02 g/mol
• Exact Mass: 2483.92
• IUPAC Name: 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
• SMILES: COc1ccc(-c2cc3cc4c5ccccc5n(-c5ccccc5)c4cc3c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5cc6c7ccccc7n(-c7ccccc7)c6cc5c5c4ccc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4cc(-c5ccc6c(c5)oc5ccccc56)c5cc6ccccc6cc5c4cc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c6ccccc6n(-c6ccccc6)c5cc4c4c3ccc3c5ccccc5oc34)cc2)cc1
• InChI: InChI=1S/C50H32N2O.C48H30N2.C45H30N2O.C42H25NO/c1-4-14-35(15-5-1)51(36-16-6-2-7-17-36)38-26-24-33(25-27-38)43-30-34-31-45-39-20-10-12-22-46(39)52(37-18-8-3-9-19-37)47(45)32-44(34)49-41(43)28-29-42-40-21-11-13-23-48(40)53-50(42)49;1-3-14-34(15-4-1)49-44-21-11-9-19-37(44)42-27-32(24-26-46(42)49)40-28-33-29-43-38-20-10-12-22-45(38)50(35-16-5-2-6-17-35)47(43)30-41(33)48-36-18-8-7-13-31(36)23-25-39(40)48;1-48-33-22-19-29(20-23-33)38-25-30-26-41-37-15-7-10-18-44(37)46(31-11-3-2-4-12-31)45(41)28-39(30)34-24-21-32(27-40(34)38)47-42-16-8-5-13-35(42)36-14-6-9-17-43(36)47;1-2-12-30(13-3-1)43-39-16-8-6-14-31(39)38-23-29-22-34(28-18-19-33-32-15-7-9-17-41(32)44-42(33)24-28)36-20-26-10-4-5-11-27(26)21-37(36)35(29)25-40(38)43/h1-32H;1-30H;2-28H,1H3;1-25H
• InChIKey: GQDSIDMJELCZNQ-UHFFFAOYSA-N
• XLogP: 50.81
• TPSA: 68.33 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2486.02
LogP ≤ 5	50.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene?

The IUPAC name of 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene (CID 158332278) is 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene.

What is the SMILES notation for 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene?

The canonical SMILES for 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene is COc1ccc(-c2cc3cc4c5ccccc5n(-c5ccccc5)c4cc3c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5cc6c7ccccc7n(-c7ccccc7)c6cc5c5c4ccc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4cc(-c5ccc6c(c5)oc5ccccc56)c5cc6ccccc6cc5c4cc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c6ccccc6n(-c6ccccc6)c5cc4c4c3ccc3c5ccccc5oc34)cc2)cc1.

What is the InChIKey of 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene?

The InChIKey is GQDSIDMJELCZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O.C48H30N2.C45H30N2O.C42H25NO/c1-4-14-35(15-5-1)51(36-16-6-2-7-17-36)38-26-24-33(25-27-38)43-30-34-31-45-39-20-10-12-22-46(39)52(37-18-8-3-9-19-37)47(45)32-44(34)49-41(43)28-29-42-40-21-11-13-23-48(40)53-50(42)49;1-3-14-34(15-4-1)49-44-21-11-9-19-37(44)42-27-32(24-26-46(42)49)40-28-33-29-43-38-20-10-12-22-45(38)50(35-16-5-2-6-17-35)47(43)30-41(33)48-36-18-8-7-13-31(36)23-25-39(40)48;1-48-33-22-19-29(20-23-33)38-25-30-26-41-37-15-7-10-18-44(37)46(31-11-3-2-4-12-31)45(41)28-39(30)34-24-21-32(27-40(34)38)47-42-16-8-5-13-35(42)36-14-6-9-17-43(36)47;1-2-12-30(13-3-1)43-39-16-8-6-14-31(39)38-23-29-22-34(28-18-19-33-32-15-7-9-17-41(32)44-42(33)24-28)36-20-26-10-4-5-11-27(26)21-37(36)35(29)25-40(38)43/h1-32H;1-30H;2-28H,1H3;1-25H.

What are the key properties of 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene?

17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene has a molecular weight of 2486.02 g/mol, XLogP of 50.81, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 17-carbazol-9-yl-20-(4-methoxyphenyl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;12-dibenzofuran-3-yl-23-phenyl-23-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;N,N-diphenyl-4-(26-phenyl-4-oxa-26-azaheptacyclo[15.11.0.02,14.03,11.05,10.019,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-tridecaen-15-yl)aniline;23-phenyl-12-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene is sourced from PubChem (CID 158332278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).