5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine

C110H76B3N3 — CID 158727367

IUPAC5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2B2c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc32)cc1.c1ccc2c(c1)B(c1ccc3ccccc3c1)c1ccccc1N2c1cccc2ccccc12.c1ccc2c(c1)B(c1cccc3ccccc13)c1ccccc1N2c1cccc2ccccc12
InChIInChI=1S/C46H32BN.2C32H22BN/c1-3-15-35(16-4-1)40-20-13-21-41(36-17-5-2-6-18-36)46(40)47-42-22-9-11-24-44(42)48(45-25-12-10-23-43(45)47)39-30-28-34(29-31-39)38-27-26-33-14-7-8-19-37(33)32-38;1-3-15-25-23(11-1)13-9-19-27(25)33-28-17-5-7-20-31(28)34(32-21-8-6-18-29(32)33)30-22-10-14-24-12-2-4-16-26(24)30;1-2-12-25-22-26(21-20-23(25)10-1)33-28-15-5-7-17-31(28)34(32-18-8-6-16-29(32)33)30-19-9-13-24-11-3-4-14-27(24)30/h1-32H;2*1-22H
InChIKeyIKRFJZOHECMSDB-UHFFFAOYSA-N
MW1472.27 g/mol
LogP22.73
Rot. Bonds9

About 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine

5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine (PubChem CID 158727367) has the molecular formula C110H76B3N3 and a molecular weight of 1472.27 g/mol. Its IUPAC name is 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine.

Molecular Properties

Compound Name5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine
PubChem CID158727367
Molecular FormulaC110H76B3N3
Molecular Weight1472.27 g/mol
Exact Mass1471.63
IUPAC Name5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2B2c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc32)cc1.c1ccc2c(c1)B(c1ccc3ccccc3c1)c1ccccc1N2c1cccc2ccccc12.c1ccc2c(c1)B(c1cccc3ccccc13)c1ccccc1N2c1cccc2ccccc12
InChIInChI=1S/C46H32BN.2C32H22BN/c1-3-15-35(16-4-1)40-20-13-21-41(36-17-5-2-6-18-36)46(40)47-42-22-9-11-24-44(42)48(45-25-12-10-23-43(45)47)39-30-28-34(29-31-39)38-27-26-33-14-7-8-19-37(33)32-38;1-3-15-25-23(11-1)13-9-19-27(25)33-28-17-5-7-20-31(28)34(32-21-8-6-18-29(32)33)30-22-10-14-24-12-2-4-16-26(24)30;1-2-12-25-22-26(21-20-23(25)10-1)33-28-15-5-7-17-31(28)34(32-18-8-6-16-29(32)33)30-19-9-13-24-11-3-4-14-27(24)30/h1-32H;2*1-22H
InChIKeyIKRFJZOHECMSDB-UHFFFAOYSA-N
XLogP22.73
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001472.27
LogP ≤ 522.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine with MolForge

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Related Compounds

10-(2,6-diphenylphenyl)-5-naphthalen-1-ylbenzo[b][1,4]benzazaborinine
CID 58511374
8,14-bis(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8,14-bis(3,5-dinaphthalen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;4,18-dinaphthalen-1-yl-8,14-bis(4-naphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;8-(3-naphthalen-2-ylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,14,22-trinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 164996227
10-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b][1,4]benzazaborinine
CID 58511404
4,18-bis(2-naphthalen-2-ylphenyl)-8,14-bis[4-(2-naphthalen-2-ylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 166011824
5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine
CID 58511426
8-phenyl-14-(4-triphenylen-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 171740535
3,11,17-triphenyl-8-(2-phenylphenyl)-14-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 167381299
5-(4-carbazol-9-ylphenyl)-10-(2-phenylnaphthalen-1-yl)benzo[b][1,4]benzazaborinine
CID 58511438
8-[3-[5-[3-[14-(3,5-dinaphthalen-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]-5-naphthalen-1-ylphenyl]naphthalen-2-yl]naphthalen-1-yl]-14,22-dinaphthalen-1-yl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 174012858
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
3,18-diphenyl-8-(3-phenylphenyl)-14-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 167381182
4,11,17-triphenyl-14-(2-phenylphenyl)-8-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 167381304

Frequently Asked Questions

What is the IUPAC name of 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine?
The IUPAC name of 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine (CID 158727367) is 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine.
What is the SMILES notation for 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine?
The canonical SMILES for 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine is c1ccc(-c2cccc(-c3ccccc3)c2B2c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc32)cc1.c1ccc2c(c1)B(c1ccc3ccccc3c1)c1ccccc1N2c1cccc2ccccc12.c1ccc2c(c1)B(c1cccc3ccccc13)c1ccccc1N2c1cccc2ccccc12.
What is the InChIKey of 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine?
The InChIKey is IKRFJZOHECMSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32BN.2C32H22BN/c1-3-15-35(16-4-1)40-20-13-21-41(36-17-5-2-6-18-36)46(40)47-42-22-9-11-24-44(42)48(45-25-12-10-23-43(45)47)39-30-28-34(29-31-39)38-27-26-33-14-7-8-19-37(33)32-38;1-3-15-25-23(11-1)13-9-19-27(25)33-28-17-5-7-20-31(28)34(32-21-8-6-18-29(32)33)30-22-10-14-24-12-2-4-16-26(24)30;1-2-12-25-22-26(21-20-23(25)10-1)33-28-15-5-7-17-31(28)34(32-18-8-6-16-29(32)33)30-19-9-13-24-11-3-4-14-27(24)30/h1-32H;2*1-22H.
What are the key properties of 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine?
5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine has a molecular weight of 1472.27 g/mol, XLogP of 22.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine;10-(2,6-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)benzo[b][1,4]benzazaborinine;5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[b][1,4]benzazaborinine is sourced from PubChem (CID 158727367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).