3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole

C36H32N2 — CID 122679552

IUPAC3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESCCCC(CC)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C36H32N2/c1-3-12-27(4-2)37-33-17-10-8-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-9-11-18-34(30)38(36)28-13-6-5-7-14-28/h5-11,13-24,27H,3-4,12H2,1-2H3
InChIKeyJYBUEYDKCIWRPS-UHFFFAOYSA-N
MW492.67 g/mol
LogP10.31
Rot. Bonds6

About 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole

3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 122679552) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID122679552
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC Name3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESCCCC(CC)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C36H32N2/c1-3-12-27(4-2)37-33-17-10-8-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-9-11-18-34(30)38(36)28-13-6-5-7-14-28/h5-11,13-24,27H,3-4,12H2,1-2H3
InChIKeyJYBUEYDKCIWRPS-UHFFFAOYSA-N
XLogP10.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-2-yl)-9-propan-2-ylcarbazole
CID 134236460
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
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
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
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-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259

Frequently Asked Questions

What is the IUPAC name of 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole (CID 122679552) is 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole is CCCC(CC)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is JYBUEYDKCIWRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2/c1-3-12-27(4-2)37-33-17-10-8-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-9-11-18-34(30)38(36)28-13-6-5-7-14-28/h5-11,13-24,27H,3-4,12H2,1-2H3.
What are the key properties of 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole?
3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 492.67 g/mol, XLogP of 10.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-hexan-3-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 122679552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).