9-methyl-3-(3-phenylcarbazol-9-yl)carbazole

C31H22N2 — CID 118137351

IUPAC9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)ccc21
InChIInChI=1S/C31H22N2/c1-32-28-13-7-5-11-24(28)27-20-23(16-18-29(27)32)33-30-14-8-6-12-25(30)26-19-22(15-17-31(26)33)21-9-3-2-4-10-21/h2-20H,1H3
InChIKeyAGDIWNHVOPCTIX-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.10
Rot. Bonds2

About 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole

9-methyl-3-(3-phenylcarbazol-9-yl)carbazole (PubChem CID 118137351) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
PubChem CID118137351
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)ccc21
InChIInChI=1S/C31H22N2/c1-32-28-13-7-5-11-24(28)27-20-23(16-18-29(27)32)33-30-14-8-6-12-25(30)26-19-22(15-17-31(26)33)21-9-3-2-4-10-21/h2-20H,1H3
InChIKeyAGDIWNHVOPCTIX-UHFFFAOYSA-N
XLogP8.10
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole?
The IUPAC name of 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole (CID 118137351) is 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole is Cn1c2ccccc2c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)ccc21.
What is the InChIKey of 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole?
The InChIKey is AGDIWNHVOPCTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-32-28-13-7-5-11-24(28)27-20-23(16-18-29(27)32)33-30-14-8-6-12-25(30)26-19-22(15-17-31(26)33)21-9-3-2-4-10-21/h2-20H,1H3.
What are the key properties of 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole?
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole has a molecular weight of 422.53 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(3-phenylcarbazol-9-yl)carbazole is sourced from PubChem (CID 118137351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).