3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole

C33H26N2 — CID 59306791

IUPAC3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
SMILESCC(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21
InChIInChI=1S/C33H26N2/c1-21(2)24-9-4-7-13-31(24)35-32-14-8-5-11-26(32)28-20-23(16-18-33(28)35)22-15-17-30-27(19-22)25-10-3-6-12-29(25)34-30/h3-21,34H,1-2H3
InChIKeyLWLDACNMKAOCOP-UHFFFAOYSA-N
MW450.59 g/mol
LogP9.21
Rot. Bonds3

About 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole

3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole (PubChem CID 59306791) has the molecular formula C33H26N2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
PubChem CID59306791
Molecular FormulaC33H26N2
Molecular Weight450.59 g/mol
Exact Mass450.21
IUPAC Name3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
SMILESCC(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21
InChIInChI=1S/C33H26N2/c1-21(2)24-9-4-7-13-31(24)35-32-14-8-5-11-26(32)28-20-23(16-18-33(28)35)22-15-17-30-27(19-22)25-10-3-6-12-29(25)34-30/h3-21,34H,1-2H3
InChIKeyLWLDACNMKAOCOP-UHFFFAOYSA-N
XLogP9.21
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 59.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
CID 59307119
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane
CID 144867981
3-(9H-carbazol-3-yl)-9-[3-(2-methylpropyl)phenyl]carbazole
CID 59306787
3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 118534268
3,6-bis(3-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 118369111
3,6-bis[9-(2-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;3,6-bis[9-(4-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;4-(9H-carbazol-3-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(6-phenyl-9H-carbazol-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-carbazol-3-yl]aniline;3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole
CID 158108669
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
3-methyl-6-[6-[6-methyl-9-(2-methylphenyl)carbazol-3-yl]-9H-carbazol-3-yl]-9-(2-methylphenyl)carbazole
CID 59307035
3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 59306803
3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole
CID 145025232

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole?
The IUPAC name of 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole (CID 59306791) is 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole?
The canonical SMILES for 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole is CC(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21.
What is the InChIKey of 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole?
The InChIKey is LWLDACNMKAOCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2/c1-21(2)24-9-4-7-13-31(24)35-32-14-8-5-11-26(32)28-20-23(16-18-33(28)35)22-15-17-30-27(19-22)25-10-3-6-12-29(25)34-30/h3-21,34H,1-2H3.
What are the key properties of 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole?
3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole has a molecular weight of 450.59 g/mol, XLogP of 9.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole is sourced from PubChem (CID 59306791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).