5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline

C126H89B3N6 — CID 161196115

About 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline

5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline (PubChem CID 161196115) has the molecular formula C126H89B3N6 and a molecular weight of 1719.58 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline
• PubChem CID: 161196115
• Molecular Formula: C126H89B3N6
• Molecular Weight: 1719.58 g/mol
• Exact Mass: 1718.74
• IUPAC Name: 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline
• SMILES: c1ccc(-c2ccc3ccccc3c2B2c3ccccc3N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4B(c4cccc5ccccc45)c4ccccc43)cc2)cc1.c1ccc2c(c1)B(c1cccc3ccccc13)c1ccccc1N2c1ccc(-n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C46H33BN2.C40H27BN2.C40H29BN2/c1-4-16-34(17-5-1)41-33-28-35-18-10-11-23-40(35)46(41)47-42-24-12-14-26-44(42)49(45-27-15-13-25-43(45)47)39-31-29-38(30-32-39)48(36-19-6-2-7-20-36)37-21-8-3-9-22-37;1-2-14-31-28(12-1)13-11-19-34(31)41-35-17-5-9-22-39(35)43(40-23-10-6-18-36(40)41)30-26-24-29(25-27-30)42-37-20-7-3-15-32(37)33-16-4-8-21-38(33)42;1-3-16-31(17-4-1)42(32-18-5-2-6-19-32)33-26-28-34(29-27-33)43-39-24-11-9-21-37(39)41(38-22-10-12-25-40(38)43)36-23-13-15-30-14-7-8-20-35(30)36/h1-33H;1-27H;1-29H
• InChIKey: UUJAOFMGLSAIDX-UHFFFAOYSA-N
• XLogP: 27.12
• TPSA: 21.13 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1719.58
LogP ≤ 5	27.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline?

The IUPAC name of 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline (CID 161196115) is 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline.

What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline?

The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline is c1ccc(-c2ccc3ccccc3c2B2c3ccccc3N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4B(c4cccc5ccccc45)c4ccccc43)cc2)cc1.c1ccc2c(c1)B(c1cccc3ccccc13)c1ccccc1N2c1ccc(-n2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline?

The InChIKey is UUJAOFMGLSAIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33BN2.C40H27BN2.C40H29BN2/c1-4-16-34(17-5-1)41-33-28-35-18-10-11-23-40(35)46(41)47-42-24-12-14-26-44(42)49(45-27-15-13-25-43(45)47)39-31-29-38(30-32-39)48(36-19-6-2-7-20-36)37-21-8-3-9-22-37;1-2-14-31-28(12-1)13-11-19-34(31)41-35-17-5-9-22-39(35)43(40-23-10-6-18-36(40)41)30-26-24-29(25-27-30)42-37-20-7-3-15-32(37)33-16-4-8-21-38(33)42;1-3-16-31(17-4-1)42(32-18-5-2-6-19-32)33-26-28-34(29-27-33)43-39-24-11-9-21-37(39)41(38-22-10-12-25-40(38)43)36-23-13-15-30-14-7-8-20-35(30)36/h1-33H;1-27H;1-29H.

What are the key properties of 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline?

5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline has a molecular weight of 1719.58 g/mol, XLogP of 27.12, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-carbazol-9-ylphenyl)-10-naphthalen-1-ylbenzo[b][1,4]benzazaborinine;N,N-diphenyl-4-[10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinin-5-yl]aniline;4-(10-naphthalen-1-ylbenzo[b][1,4]benzazaborinin-5-yl)-N,N-diphenylaniline is sourced from PubChem (CID 161196115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).