11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol

C28H21NO — CID 174308160

IUPAC11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol
SMILESOc1cc2ccccc2c2c1c1ccc(-c3ccccc3)cc1n2C1=CC=CCC1
InChIInChI=1S/C28H21NO/c30-26-18-21-11-7-8-14-23(21)28-27(26)24-16-15-20(19-9-3-1-4-10-19)17-25(24)29(28)22-12-5-2-6-13-22/h1-5,7-12,14-18,30H,6,13H2
InChIKeyXTFRRIRHQWDSLZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP7.51
Rot. Bonds2

About 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol

11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol (PubChem CID 174308160) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol.

Molecular Properties

Compound Name11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol
PubChem CID174308160
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol
SMILESOc1cc2ccccc2c2c1c1ccc(-c3ccccc3)cc1n2C1=CC=CCC1
InChIInChI=1S/C28H21NO/c30-26-18-21-11-7-8-14-23(21)28-27(26)24-16-15-20(19-9-3-1-4-10-19)17-25(24)29(28)22-12-5-2-6-13-22/h1-5,7-12,14-18,30H,6,13H2
InChIKeyXTFRRIRHQWDSLZ-UHFFFAOYSA-N
XLogP7.51
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

12-cyclohexa-1,3-dien-1-yl-5-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 170206804
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 149340747
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
CID 153115110
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
20-cyclohexa-1,3-dien-1-yl-9,16-diphenyl-5,7,9,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 135219975
11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
CID 134390608
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-yl-6-phenylcarbazole
CID 169036908
10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole
CID 131998857
N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307062
12-cyclohexa-1,3-dien-1-yl-16-[(3E)-hepta-1,3,5-trien-3-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 144925974
N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145159851
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559

Frequently Asked Questions

What is the IUPAC name of 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol?
The IUPAC name of 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol (CID 174308160) is 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol.
What is the SMILES notation for 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol?
The canonical SMILES for 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol is Oc1cc2ccccc2c2c1c1ccc(-c3ccccc3)cc1n2C1=CC=CCC1.
What is the InChIKey of 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol?
The InChIKey is XTFRRIRHQWDSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c30-26-18-21-11-7-8-14-23(21)28-27(26)24-16-15-20(19-9-3-1-4-10-19)17-25(24)29(28)22-12-5-2-6-13-22/h1-5,7-12,14-18,30H,6,13H2.
What are the key properties of 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol?
11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol has a molecular weight of 387.48 g/mol, XLogP of 7.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexa-1,3-dien-1-yl-9-phenylbenzo[a]carbazol-6-ol is sourced from PubChem (CID 174308160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).