9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole

C42H29N — CID 126633129

IUPAC9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1cccc2cc3c4ccccc4c4ccccc4c3cc12
InChIInChI=1S/C42H29N/c1-26-23-42(43-40-20-9-7-17-34(40)35-18-8-10-21-41(35)43)27(2)22-36(26)33-19-11-12-28-24-38-31-15-5-3-13-29(31)30-14-4-6-16-32(30)39(38)25-37(28)33/h3-25H,1-2H3
InChIKeyBFOLEOASDSCLER-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.68
Rot. Bonds2

About 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole

9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole (PubChem CID 126633129) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole
PubChem CID126633129
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1cccc2cc3c4ccccc4c4ccccc4c3cc12
InChIInChI=1S/C42H29N/c1-26-23-42(43-40-20-9-7-17-34(40)35-18-8-10-21-41(35)43)27(2)22-36(26)33-19-11-12-28-24-38-31-15-5-3-13-29(31)30-14-4-6-16-32(30)39(38)25-37(28)33/h3-25H,1-2H3
InChIKeyBFOLEOASDSCLER-UHFFFAOYSA-N
XLogP11.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.68
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-[2-(2-benzo[b]triphenylen-10-ylphenyl)phenyl]carbazole
CID 126633118
9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[a]anthracen-6-yl]-3-phenylcarbazole
CID 145009211
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole
CID 67574346
9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
9-[4-[6-(4-carbazol-9-yl-2,5-dimethylphenyl)-9,10-diphenylanthracen-2-yl]-2,5-dimethylphenyl]carbazole;9-[4-[6-(4-carbazol-9-ylphenyl)-9,10-bis(4-phenanthren-1-ylphenyl)anthracen-2-yl]phenyl]carbazole
CID 160718540
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525
9-[4-[3,6-bis(4-naphthalen-1-ylphenyl)benzo[b]triphenylen-10-yl]phenyl]carbazole
CID 126633133
3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole
CID 88569900
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
16-[2,5-dimethyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163572455
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 170274139
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306789

Frequently Asked Questions

What is the IUPAC name of 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole?
The IUPAC name of 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole (CID 126633129) is 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole.
What is the SMILES notation for 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole?
The canonical SMILES for 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole is Cc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1cccc2cc3c4ccccc4c4ccccc4c3cc12.
What is the InChIKey of 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole?
The InChIKey is BFOLEOASDSCLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-26-23-42(43-40-20-9-7-17-34(40)35-18-8-10-21-41(35)43)27(2)22-36(26)33-19-11-12-28-24-38-31-15-5-3-13-29(31)30-14-4-6-16-32(30)39(38)25-37(28)33/h3-25H,1-2H3.
What are the key properties of 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole?
9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole has a molecular weight of 547.70 g/mol, XLogP of 11.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-benzo[b]triphenylen-10-yl-2,5-dimethylphenyl)carbazole is sourced from PubChem (CID 126633129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).