9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene

C48H47N — CID 144649951

IUPAC9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.CCC/C(=C\C(CCC)c1ccc(-c2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C39H37N.C9H10/c1-3-12-33(31-22-20-30(21-23-31)29-14-6-5-7-15-29)28-34(13-4-2)32-24-26-35(27-25-32)40-38-18-10-8-16-36(38)37-17-9-11-19-39(37)40;1-8(2)9-6-4-3-5-7-9/h5-11,14-28,33H,3-4,12-13H2,1-2H3;3-7H,1H2,2H3/b34-28+;
InChIKeyMNCMHYMAAQODGU-RGEOXJBSSA-N
MW637.91 g/mol
LogP13.94
Rot. Bonds10

About 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene

9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene (PubChem CID 144649951) has the molecular formula C48H47N and a molecular weight of 637.91 g/mol. Its IUPAC name is 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
PubChem CID144649951
Molecular FormulaC48H47N
Molecular Weight637.91 g/mol
Exact Mass637.37
IUPAC Name9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.CCC/C(=C\C(CCC)c1ccc(-c2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C39H37N.C9H10/c1-3-12-33(31-22-20-30(21-23-31)29-14-6-5-7-15-29)28-34(13-4-2)32-24-26-35(27-25-32)40-38-18-10-8-16-36(38)37-17-9-11-19-39(37)40;1-8(2)9-6-4-3-5-7-9/h5-11,14-28,33H,3-4,12-13H2,1-2H3;3-7H,1H2,2H3/b34-28+;
InChIKeyMNCMHYMAAQODGU-RGEOXJBSSA-N
XLogP13.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.91
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-prop-1-en-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 58568883
9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
CID 144649919
1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine
CID 144542320
9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole
CID 156568545
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one
CID 140927721
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[(4E,6Z)-6-[4-(2-cyclobutylphenyl)-3-methylphenyl]nona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
CID 144649896
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
N-[4-[4-(20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]phenyl]-N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-phenylaniline
CID 142363433

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene?
The IUPAC name of 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene (CID 144649951) is 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene.
What is the SMILES notation for 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene?
The canonical SMILES for 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.CCC/C(=C\C(CCC)c1ccc(-c2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene?
The InChIKey is MNCMHYMAAQODGU-RGEOXJBSSA-N. The full InChI is InChI=1S/C39H37N.C9H10/c1-3-12-33(31-22-20-30(21-23-31)29-14-6-5-7-15-29)28-34(13-4-2)32-24-26-35(27-25-32)40-38-18-10-8-16-36(38)37-17-9-11-19-39(37)40;1-8(2)9-6-4-3-5-7-9/h5-11,14-28,33H,3-4,12-13H2,1-2H3;3-7H,1H2,2H3/b34-28+;.
What are the key properties of 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene?
9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene has a molecular weight of 637.91 g/mol, XLogP of 13.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene is sourced from PubChem (CID 144649951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).