9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole

C31H24N2 — CID 143793752

IUPAC9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole
SMILESCC1CC=C(n2c3ccccc3c3ccccc32)C=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C31H24N2/c1-21-18-19-22(32-27-14-6-2-10-23(27)24-11-3-7-15-28(24)32)20-31(21)33-29-16-8-4-12-25(29)26-13-5-9-17-30(26)33/h2-17,19-21H,18H2,1H3
InChIKeySPOHYHTYWXSHLP-UHFFFAOYSA-N
MW424.55 g/mol
LogP8.32
Rot. Bonds2

About 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole

9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole (PubChem CID 143793752) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole
PubChem CID143793752
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole
SMILESCC1CC=C(n2c3ccccc3c3ccccc32)C=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C31H24N2/c1-21-18-19-22(32-27-14-6-2-10-23(27)24-11-3-7-15-28(24)32)20-31(21)33-29-16-8-4-12-25(29)26-13-5-9-17-30(26)33/h2-17,19-21H,18H2,1H3
InChIKeySPOHYHTYWXSHLP-UHFFFAOYSA-N
XLogP8.32
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(6-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 152848775
9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole
CID 163450266
9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole
CID 123432152
9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 129310423
9-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 145272973
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406
9-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-3-yl]-3-phenylcarbazole
CID 167200840
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole
CID 170077644
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-yl-2-phenylcyclohexa-2,4-dien-1-yl)-3-phenylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 158389469
3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
CID 145218205
12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 139539060
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole?
The IUPAC name of 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole (CID 143793752) is 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole.
What is the SMILES notation for 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole?
The canonical SMILES for 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole is CC1CC=C(n2c3ccccc3c3ccccc32)C=C1n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole?
The InChIKey is SPOHYHTYWXSHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2/c1-21-18-19-22(32-27-14-6-2-10-23(27)24-11-3-7-15-28(24)32)20-31(21)33-29-16-8-4-12-25(29)26-13-5-9-17-30(26)33/h2-17,19-21H,18H2,1H3.
What are the key properties of 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole?
9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole has a molecular weight of 424.55 g/mol, XLogP of 8.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole is sourced from PubChem (CID 143793752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).