4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane

C30H33N — CID 162000855

IUPAC4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane
SMILESC.C.CCC(C)c1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C28H25N.2CH4/c1-3-20(2)21-16-18-22(19-17-21)24-13-9-15-27-28(24)25-12-7-8-14-26(25)29(27)23-10-5-4-6-11-23;;/h4-20H,3H2,1-2H3;2*1H4
InChIKeyYSEOCTFORUKPJD-UHFFFAOYSA-N
MW407.60 g/mol
LogP9.24
Rot. Bonds4

About 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane

4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane (PubChem CID 162000855) has the molecular formula C30H33N and a molecular weight of 407.60 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane.

Molecular Properties

Compound Name4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane
PubChem CID162000855
Molecular FormulaC30H33N
Molecular Weight407.60 g/mol
Exact Mass407.26
IUPAC Name4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane
SMILESC.C.CCC(C)c1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C28H25N.2CH4/c1-3-20(2)21-16-18-22(19-17-21)24-13-9-15-27-28(24)25-12-7-8-14-26(25)29(27)23-10-5-4-6-11-23;;/h4-20H,3H2,1-2H3;2*1H4
InChIKeyYSEOCTFORUKPJD-UHFFFAOYSA-N
XLogP9.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-butan-2-yl-9-phenylcarbazole
CID 23520668
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
9-phenyl-4-[4-[(4-phenylphenyl)methyl]phenyl]carbazole
CID 164569086
4-(4-ethenylphenyl)-9-phenylcarbazole
CID 58569990
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole
CID 58569968
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane?
The IUPAC name of 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane (CID 162000855) is 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane.
What is the SMILES notation for 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane?
The canonical SMILES for 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane is C.C.CCC(C)c1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane?
The InChIKey is YSEOCTFORUKPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N.2CH4/c1-3-20(2)21-16-18-22(19-17-21)24-13-9-15-27-28(24)25-12-7-8-14-26(25)29(27)23-10-5-4-6-11-23;;/h4-20H,3H2,1-2H3;2*1H4.
What are the key properties of 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane?
4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane has a molecular weight of 407.60 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane is sourced from PubChem (CID 162000855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).