9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole

C31H23NS — CID 142364398

IUPAC9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole
SMILESCc1cccc2c1sc1cc(-c3ccc4c(c3)c3ccccc3n4C3=CC=CCC3)ccc12
InChIInChI=1S/C31H23NS/c1-20-8-7-12-26-25-16-14-22(19-30(25)33-31(20)26)21-15-17-29-27(18-21)24-11-5-6-13-28(24)32(29)23-9-3-2-4-10-23/h2-3,5-9,11-19H,4,10H2,1H3
InChIKeyCILIPCMNLNJOGS-UHFFFAOYSA-N
MW441.60 g/mol
LogP9.33
Rot. Bonds2

About 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole

9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole (PubChem CID 142364398) has the molecular formula C31H23NS and a molecular weight of 441.60 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole
PubChem CID142364398
Molecular FormulaC31H23NS
Molecular Weight441.60 g/mol
Exact Mass441.16
IUPAC Name9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole
SMILESCc1cccc2c1sc1cc(-c3ccc4c(c3)c3ccccc3n4C3=CC=CCC3)ccc12
InChIInChI=1S/C31H23NS/c1-20-8-7-12-26-25-16-14-22(19-30(25)33-31(20)26)21-15-17-29-27(18-21)24-11-5-6-13-28(24)32(29)23-9-3-2-4-10-23/h2-3,5-9,11-19H,4,10H2,1H3
InChIKeyCILIPCMNLNJOGS-UHFFFAOYSA-N
XLogP9.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylnaphthalene;9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole;ethane;methanamine
CID 142364397
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-yl-6-phenylcarbazole
CID 169036908
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
CID 153115110
2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole
CID 166962609
7-cyclohexa-1,3-dien-1-yl-4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzothiolo[2,3-b]carbazole
CID 118204248
CID 134171795
CID 134171795
9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
CID 166689866
3-(9-cyclohexa-1,3-dien-1-yl-6-phenylcarbazol-3-yl)oxy-9-(3-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole
CID 71248596
(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid
CID 153238097
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole (CID 142364398) is 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole is Cc1cccc2c1sc1cc(-c3ccc4c(c3)c3ccccc3n4C3=CC=CCC3)ccc12.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole?
The InChIKey is CILIPCMNLNJOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NS/c1-20-8-7-12-26-25-16-14-22(19-30(25)33-31(20)26)21-15-17-29-27(18-21)24-11-5-6-13-28(24)32(29)23-9-3-2-4-10-23/h2-3,5-9,11-19H,4,10H2,1H3.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole?
9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole has a molecular weight of 441.60 g/mol, XLogP of 9.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole is sourced from PubChem (CID 142364398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).