9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine

C108H75B3N6 — CID 157254105

IUPAC9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
SMILESc1ccc(B2c3ccc(-n4c5ccccc5c5ccccc54)cc3-c3ccccc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3ccccc3N2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(N2B(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/3C36H25BN2/c1-3-13-26(14-4-1)37-33-24-23-28(38-34-20-10-7-17-29(34)30-18-8-11-21-35(30)38)25-32(33)31-19-9-12-22-36(31)39(37)27-15-5-2-6-16-27;1-2-12-28(13-3-1)39-36-21-11-7-15-30(36)29-14-4-8-18-33(29)37(39)26-22-24-27(25-23-26)38-34-19-9-5-16-31(34)32-17-6-10-20-35(32)38;1-2-12-26(13-3-1)37-33-18-8-4-14-29(33)30-15-7-11-21-36(30)39(37)28-24-22-27(23-25-28)38-34-19-9-5-16-31(34)32-17-6-10-20-35(32)38/h3*1-25H
InChIKeyAWRKBVQFDMQXKR-UHFFFAOYSA-N
MW1489.27 g/mol
LogP23.12
Rot. Bonds9

About 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine

9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine (PubChem CID 157254105) has the molecular formula C108H75B3N6 and a molecular weight of 1489.27 g/mol. Its IUPAC name is 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine.

Molecular Properties

Compound Name9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
PubChem CID157254105
Molecular FormulaC108H75B3N6
Molecular Weight1489.27 g/mol
Exact Mass1488.63
IUPAC Name9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
SMILESc1ccc(B2c3ccc(-n4c5ccccc5c5ccccc54)cc3-c3ccccc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3ccccc3N2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(N2B(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/3C36H25BN2/c1-3-13-26(14-4-1)37-33-24-23-28(38-34-20-10-7-17-29(34)30-18-8-11-21-35(30)38)25-32(33)31-19-9-12-22-36(31)39(37)27-15-5-2-6-16-27;1-2-12-28(13-3-1)39-36-21-11-7-15-30(36)29-14-4-8-18-33(29)37(39)26-22-24-27(25-23-26)38-34-19-9-5-16-31(34)32-17-6-10-20-35(32)38;1-2-12-26(13-3-1)37-33-18-8-4-14-29(33)30-15-7-11-21-36(30)39(37)28-24-22-27(23-25-28)38-34-19-9-5-16-31(34)32-17-6-10-20-35(32)38/h3*1-25H
InChIKeyAWRKBVQFDMQXKR-UHFFFAOYSA-N
XLogP23.12
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001489.27
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine with MolForge

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Related Compounds

5-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848251
6-phenyl-5-[3-(3-phenylcarbazol-9-yl)phenyl]benzo[c][1,2]benzazaborinine
CID 168848168
5-[3-[3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848142
33,38-diphenyl-15,33,38-triaza-2-boradecacyclo[20.18.0.02,15.03,8.09,14.016,21.024,39.025,37.026,34.027,32]tetraconta-1(40),3,5,7,9,11,13,16,18,20,22,24(39),25(37),26(34),27,29,31,35-octadecaene
CID 140834870
35-phenyl-25-thia-15,35-diaza-2-boradecacyclo[20.18.0.02,15.03,8.09,14.016,21.024,39.026,38.028,36.029,34]tetraconta-1(40),3,5,7,9,11,13,16,18,20,22,24(39),26,28(36),29,31,33,37-octadecaene
CID 140835031
5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine
CID 140842799
5-[3-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848157
5-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848164
5-phenyl-6-(3-phenylphenyl)benzo[c][1,2]benzazaborinine
CID 140842894
3,5,6-triphenylbenzo[c][1,2]benzazaborinine
CID 140842797
10-(4-carbazol-9-ylphenyl)-5-phenylbenzo[b][1,4]benzazaborinine
CID 58511372
28-phenyl-38-thia-2,28-diaza-15-boradecacyclo[20.18.0.02,15.03,8.09,14.016,21.024,39.025,37.027,35.029,34]tetraconta-1(22),3,5,7,9,11,13,16,18,20,23,25,27(35),29,31,33,36,39-octadecaene
CID 140834998

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine?
The IUPAC name of 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine (CID 157254105) is 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine.
What is the SMILES notation for 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine?
The canonical SMILES for 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine is c1ccc(B2c3ccc(-n4c5ccccc5c5ccccc54)cc3-c3ccccc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3ccccc3N2c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(N2B(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine?
The InChIKey is AWRKBVQFDMQXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H25BN2/c1-3-13-26(14-4-1)37-33-24-23-28(38-34-20-10-7-17-29(34)30-18-8-11-21-35(30)38)25-32(33)31-19-9-12-22-36(31)39(37)27-15-5-2-6-16-27;1-2-12-28(13-3-1)39-36-21-11-7-15-30(36)29-14-4-8-18-33(29)37(39)26-22-24-27(25-23-26)38-34-19-9-5-16-31(34)32-17-6-10-20-35(32)38;1-2-12-26(13-3-1)37-33-18-8-4-14-29(33)30-15-7-11-21-36(30)39(37)28-24-22-27(23-25-28)38-34-19-9-5-16-31(34)32-17-6-10-20-35(32)38/h3*1-25H.
What are the key properties of 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine?
9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine has a molecular weight of 1489.27 g/mol, XLogP of 23.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine is sourced from PubChem (CID 157254105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).