benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene

C138H96N14 — CID 158627361

About benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene

benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene (PubChem CID 158627361) has the molecular formula C138H96N14 and a molecular weight of 1950.38 g/mol. Its IUPAC name is benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene.

Molecular Properties

• Compound Name: benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene
• PubChem CID: 158627361
• Molecular Formula: C138H96N14
• Molecular Weight: 1950.38 g/mol
• Exact Mass: 1948.79
• IUPAC Name: benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene
• SMILES: c1ccc(-n2ccc3c(N(c4ccc(-c5ccccn5)cc4)c4ccc5ccccc5c4)cccc32)cc1.c1ccc(-n2ccc3c2ccc2c4c5ccccc5ccc4n(-c4cc(-c5cccnc5)ccn4)c23)cc1.c1ccc(-n2ccc3c2ccc2c4c5ccccc5ccc4n(-c4ccnc(-c5cccnc5)n4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccc6ccccc6c5c4ccc32)cc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/C35H25N3.C34H22N4.C33H21N5.C24H16N2.2C6H6/c1-2-11-29(12-3-1)37-24-22-32-34(37)14-8-15-35(32)38(31-21-16-26-9-4-5-10-28(26)25-31)30-19-17-27(18-20-30)33-13-6-7-23-36-33;1-2-9-26(10-3-1)37-20-17-28-30(37)15-13-29-33-27-11-5-4-7-23(27)12-14-31(33)38(34(28)29)32-21-24(16-19-36-32)25-8-6-18-35-22-25;1-2-9-24(10-3-1)37-20-17-26-28(37)15-13-27-31-25-11-5-4-7-22(25)12-14-29(31)38(32(26)27)30-16-19-35-33(36-30)23-8-6-18-34-21-23;1-2-7-17(8-3-1)26-15-14-19-22(26)13-11-20-23-18-9-5-4-6-16(18)10-12-21(23)25-24(19)20;2*1-2-4-6-5-3-1/h1-25H;1-22H;1-21H;1-15,25H;2*1-6H
• InChIKey: HYTKKEBODHGCMW-UHFFFAOYSA-N
• XLogP: 35.18
• TPSA: 125.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.38
LogP ≤ 5	35.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene?

The IUPAC name of benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene (CID 158627361) is benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene.

What is the SMILES notation for benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene?

The canonical SMILES for benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene is c1ccc(-n2ccc3c(N(c4ccc(-c5ccccn5)cc4)c4ccc5ccccc5c4)cccc32)cc1.c1ccc(-n2ccc3c2ccc2c4c5ccccc5ccc4n(-c4cc(-c5cccnc5)ccn4)c23)cc1.c1ccc(-n2ccc3c2ccc2c4c5ccccc5ccc4n(-c4ccnc(-c5cccnc5)n4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccc6ccccc6c5c4ccc32)cc1.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene?

The InChIKey is HYTKKEBODHGCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3.C34H22N4.C33H21N5.C24H16N2.2C6H6/c1-2-11-29(12-3-1)37-24-22-32-34(37)14-8-15-35(32)38(31-21-16-26-9-4-5-10-28(26)25-31)30-19-17-27(18-20-30)33-13-6-7-23-36-33;1-2-9-26(10-3-1)37-20-17-28-30(37)15-13-29-33-27-11-5-4-7-23(27)12-14-31(33)38(34(28)29)32-21-24(16-19-36-32)25-8-6-18-35-22-25;1-2-9-24(10-3-1)37-20-17-26-28(37)15-13-27-31-25-11-5-4-7-22(25)12-14-29(31)38(32(26)27)30-16-19-35-33(36-30)23-8-6-18-34-21-23;1-2-7-17(8-3-1)26-15-14-19-22(26)13-11-20-23-18-9-5-4-6-16(18)10-12-21(23)25-24(19)20;2*1-2-4-6-5-3-1/h1-25H;1-22H;1-21H;1-15,25H;2*1-6H.

What are the key properties of benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene?

benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene has a molecular weight of 1950.38 g/mol, XLogP of 35.18, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene is sourced from PubChem (CID 158627361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).