9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole

C41H27N — CID 126633207

IUPAC9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole
SMILESCc1cccc2cc3c4ccccc4c4ccccc4c3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c12
InChIInChI=1S/C41H27N/c1-26-11-10-12-28-25-36-32-15-3-2-13-30(32)31-14-4-5-18-35(31)41(36)40(39(26)28)27-21-23-29(24-22-27)42-37-19-8-6-16-33(37)34-17-7-9-20-38(34)42/h2-25H,1H3
InChIKeyPEDOHDDFLUCRJL-UHFFFAOYSA-N
MW533.67 g/mol
LogP11.37
Rot. Bonds2

About 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole

9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole (PubChem CID 126633207) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole
PubChem CID126633207
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC Name9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole
SMILESCc1cccc2cc3c4ccccc4c4ccccc4c3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c12
InChIInChI=1S/C41H27N/c1-26-11-10-12-28-25-36-32-15-3-2-13-30(32)31-14-4-5-18-35(31)41(36)40(39(26)28)27-21-23-29(24-22-27)42-37-19-8-6-16-33(37)34-17-7-9-20-38(34)42/h2-25H,1H3
InChIKeyPEDOHDDFLUCRJL-UHFFFAOYSA-N
XLogP11.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole
CID 126617968
9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole
CID 159520886
3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole
CID 126633217
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
9-(4-benzo[b]triphenylen-9-ylphenyl)-3,6-ditert-butylcarbazole
CID 126633197
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
4-methyl-9-(4-phenylphenyl)carbazole
CID 122415243
2-(8-methylnaphthalen-1-yl)-9-phenylcarbazole
CID 170093624
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene
CID 167544014
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 158559186
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole (CID 126633207) is 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole is Cc1cccc2cc3c4ccccc4c4ccccc4c3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c12.
What is the InChIKey of 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole?
The InChIKey is PEDOHDDFLUCRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-26-11-10-12-28-25-36-32-15-3-2-13-30(32)31-14-4-5-18-35(31)41(36)40(39(26)28)27-21-23-29(24-22-27)42-37-19-8-6-16-33(37)34-17-7-9-20-38(34)42/h2-25H,1H3.
What are the key properties of 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole?
9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole has a molecular weight of 533.67 g/mol, XLogP of 11.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(10-methylbenzo[b]triphenylen-9-yl)phenyl]carbazole is sourced from PubChem (CID 126633207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).