3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole

C43H31N3 — CID 144780313

IUPAC3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole
SMILESCc1ccc(-n2c3c(c4cc(-n5c6ccccc6c6ccccc65)ccc42)C=C(n2c4ccccc4c4ccccc42)CC3)cc1
InChIInChI=1S/C43H31N3/c1-28-18-20-29(21-19-28)44-42-24-22-30(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-31(23-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46/h2-22,24,26-27H,23,25H2,1H3
InChIKeyVAFIVBZEMBLCNH-UHFFFAOYSA-N
MW589.74 g/mol
LogP11.09
Rot. Bonds3

About 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole

3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole (PubChem CID 144780313) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole
PubChem CID144780313
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole
SMILESCc1ccc(-n2c3c(c4cc(-n5c6ccccc6c6ccccc65)ccc42)C=C(n2c4ccccc4c4ccccc42)CC3)cc1
InChIInChI=1S/C43H31N3/c1-28-18-20-29(21-19-28)44-42-24-22-30(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-31(23-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46/h2-22,24,26-27H,23,25H2,1H3
InChIKeyVAFIVBZEMBLCNH-UHFFFAOYSA-N
XLogP11.09
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
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
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole
CID 142356487
9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole
CID 163951660
9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
CID 123602902
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole (CID 144780313) is 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole is Cc1ccc(-n2c3c(c4cc(-n5c6ccccc6c6ccccc65)ccc42)C=C(n2c4ccccc4c4ccccc42)CC3)cc1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole?
The InChIKey is VAFIVBZEMBLCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-28-18-20-29(21-19-28)44-42-24-22-30(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-31(23-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46/h2-22,24,26-27H,23,25H2,1H3.
What are the key properties of 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole?
3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole has a molecular weight of 589.74 g/mol, XLogP of 11.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole is sourced from PubChem (CID 144780313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).