5-carbazol-9-yl-N,N-diphenylthiophen-2-amine

C28H20N2S — CID 171601547

IUPAC5-carbazol-9-yl-N,N-diphenylthiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)s2)cc1
InChIInChI=1S/C28H20N2S/c1-3-11-21(12-4-1)29(22-13-5-2-6-14-22)27-19-20-28(31-27)30-25-17-9-7-15-23(25)24-16-8-10-18-26(24)30/h1-20H
InChIKeyNWQKYHUDRDBZNZ-UHFFFAOYSA-N
MW416.55 g/mol
LogP8.31
Rot. Bonds4

About 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine

5-carbazol-9-yl-N,N-diphenylthiophen-2-amine (PubChem CID 171601547) has the molecular formula C28H20N2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine.

Molecular Properties

Compound Name5-carbazol-9-yl-N,N-diphenylthiophen-2-amine
PubChem CID171601547
Molecular FormulaC28H20N2S
Molecular Weight416.55 g/mol
Exact Mass416.13
IUPAC Name5-carbazol-9-yl-N,N-diphenylthiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)s2)cc1
InChIInChI=1S/C28H20N2S/c1-3-11-21(12-4-1)29(22-13-5-2-6-14-22)27-19-20-28(31-27)30-25-17-9-7-15-23(25)24-16-8-10-18-26(24)30/h1-20H
InChIKeyNWQKYHUDRDBZNZ-UHFFFAOYSA-N
XLogP8.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
2-carbazol-9-yl-N,N-diphenylaniline
CID 66650204
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine
CID 59844176
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58827958
N-(3-methylcyclohexa-1,5-dien-1-yl)-9-phenyl-N-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]carbazol-3-amine
CID 152825052
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine?
The IUPAC name of 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine (CID 171601547) is 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine.
What is the SMILES notation for 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine?
The canonical SMILES for 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)s2)cc1.
What is the InChIKey of 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine?
The InChIKey is NWQKYHUDRDBZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2S/c1-3-11-21(12-4-1)29(22-13-5-2-6-14-22)27-19-20-28(31-27)30-25-17-9-7-15-23(25)24-16-8-10-18-26(24)30/h1-20H.
What are the key properties of 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine?
5-carbazol-9-yl-N,N-diphenylthiophen-2-amine has a molecular weight of 416.55 g/mol, XLogP of 8.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-N,N-diphenylthiophen-2-amine is sourced from PubChem (CID 171601547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).