6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole

C37H26N2 — CID 170365229

IUPAC6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
SMILESCc1ccc2c(c1)c1cccc(-c3ccccc3)c1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C37H26N2/c1-25-19-21-36-32(23-25)31-17-10-16-29(26-11-4-2-5-12-26)37(31)39(36)28-20-22-35-33(24-28)30-15-8-9-18-34(30)38(35)27-13-6-3-7-14-27/h2-24H,1H3
InChIKeyDAKCOHNLQSQJJD-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.86
Rot. Bonds3

About 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole

6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 170365229) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
PubChem CID170365229
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
SMILESCc1ccc2c(c1)c1cccc(-c3ccccc3)c1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C37H26N2/c1-25-19-21-36-32(23-25)31-17-10-16-29(26-11-4-2-5-12-26)37(31)39(36)28-20-22-35-33(24-28)30-15-8-9-18-34(30)38(35)27-13-6-3-7-14-27/h2-24H,1H3
InChIKeyDAKCOHNLQSQJJD-UHFFFAOYSA-N
XLogP9.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 146182046
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
9-methyl-1-phenylcarbazole;9-methyl-1-(4-phenylphenyl)carbazole;9-[3-(3-methylphenyl)phenyl]carbazole;9-(3-methylphenyl)-1-(4-phenylphenyl)carbazole;9-(4-methylphenyl)-1-(4-phenylphenyl)carbazole
CID 161442751
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
1-methyl-6,9-diphenylcarbazole;2-methyl-6,9-diphenylcarbazole;3-methyl-6,9-diphenylcarbazole;5-methyl-3,9-diphenylcarbazole;1-(4-methylphenyl)-9-phenylcarbazole
CID 160931079
1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole
CID 161419007
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole (CID 170365229) is 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole is Cc1ccc2c(c1)c1cccc(-c3ccccc3)c1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is DAKCOHNLQSQJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-25-19-21-36-32(23-25)31-17-10-16-29(26-11-4-2-5-12-26)37(31)39(36)28-20-22-35-33(24-28)30-15-8-9-18-34(30)38(35)27-13-6-3-7-14-27/h2-24H,1H3.
What are the key properties of 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 498.63 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 170365229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).