9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole

C28H21NS — CID 71011281

IUPAC9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)c3ccccc23)CC1
InChIInChI=1S/C28H21NS/c1-2-8-20(9-3-1)27-18-19-28(30-27)21-14-16-22(17-15-21)29-25-12-6-4-10-23(25)24-11-5-7-13-26(24)29/h1-6,8-12,14-19H,7,13H2
InChIKeyYPYAFKLTVJPGOY-UHFFFAOYSA-N
MW403.55 g/mol
LogP7.99
Rot. Bonds3

About 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole

9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole (PubChem CID 71011281) has the molecular formula C28H21NS and a molecular weight of 403.55 g/mol. Its IUPAC name is 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
PubChem CID71011281
Molecular FormulaC28H21NS
Molecular Weight403.55 g/mol
Exact Mass403.14
IUPAC Name9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)c3ccccc23)CC1
InChIInChI=1S/C28H21NS/c1-2-8-20(9-3-1)27-18-19-28(30-27)21-14-16-22(17-15-21)29-25-12-6-4-10-23(25)24-11-5-7-13-26(24)29/h1-6,8-12,14-19H,7,13H2
InChIKeyYPYAFKLTVJPGOY-UHFFFAOYSA-N
XLogP7.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
CID 146489535
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole (CID 71011281) is 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)c3ccccc23)CC1.
What is the InChIKey of 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole?
The InChIKey is YPYAFKLTVJPGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NS/c1-2-8-20(9-3-1)27-18-19-28(30-27)21-14-16-22(17-15-21)29-25-12-6-4-10-23(25)24-11-5-7-13-26(24)29/h1-6,8-12,14-19H,7,13H2.
What are the key properties of 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole?
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole has a molecular weight of 403.55 g/mol, XLogP of 7.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole is sourced from PubChem (CID 71011281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).