9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole

C30H23N — CID 130456805

IUPAC9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)=CCC1
InChIInChI=1S/C30H23N/c1-3-9-22(10-4-1)24-15-18-26(19-16-24)31-29-14-8-7-13-27(29)28-21-25(17-20-30(28)31)23-11-5-2-6-12-23/h2-3,5-21H,1,4H2
InChIKeyISMVSIGAWKKWJP-UHFFFAOYSA-N
MW397.52 g/mol
LogP8.18
Rot. Bonds3

About 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole

9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole (PubChem CID 130456805) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole.

Molecular Properties

Compound Name9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
PubChem CID130456805
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)=CCC1
InChIInChI=1S/C30H23N/c1-3-9-22(10-4-1)24-15-18-26(19-16-24)31-29-14-8-7-13-27(29)28-21-25(17-20-30(28)31)23-11-5-2-6-12-23/h2-3,5-21H,1,4H2
InChIKeyISMVSIGAWKKWJP-UHFFFAOYSA-N
XLogP8.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063272
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 177063273
cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole
CID 175264939
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069586
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
9-[3-carbazol-9-yl-5-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]carbazole
CID 170151461
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole?
The IUPAC name of 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole (CID 130456805) is 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole.
What is the SMILES notation for 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole?
The canonical SMILES for 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole is C1=CC(c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)=CCC1.
What is the InChIKey of 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole?
The InChIKey is ISMVSIGAWKKWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-3-9-22(10-4-1)24-15-18-26(19-16-24)31-29-14-8-7-13-27(29)28-21-25(17-20-30(28)31)23-11-5-2-6-12-23/h2-3,5-21H,1,4H2.
What are the key properties of 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole?
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole has a molecular weight of 397.52 g/mol, XLogP of 8.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole is sourced from PubChem (CID 130456805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).