2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine

C40H30F3N3S — CID 23593277

IUPAC2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
SMILESCc1ccc2sc3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3c2c1
InChIInChI=1S/C40H30F3N3S/c1-25-9-19-38-34(21-25)35-22-30(16-20-39(35)47-38)46(28-7-5-4-6-8-28)31-15-18-33-32-17-14-29(23-36(32)45(3)37(33)24-31)44(2)27-12-10-26(11-13-27)40(41,42)43/h4-24H,1-3H3
InChIKeyFAVDZXMVIDGDRP-UHFFFAOYSA-N
MW641.76 g/mol
LogP12.26
Rot. Bonds5

About 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine

2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine (PubChem CID 23593277) has the molecular formula C40H30F3N3S and a molecular weight of 641.76 g/mol. Its IUPAC name is 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine.

Molecular Properties

Compound Name2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
PubChem CID23593277
Molecular FormulaC40H30F3N3S
Molecular Weight641.76 g/mol
Exact Mass641.21
IUPAC Name2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
SMILESCc1ccc2sc3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3c2c1
InChIInChI=1S/C40H30F3N3S/c1-25-9-19-38-34(21-25)35-22-30(16-20-39(35)47-38)46(28-7-5-4-6-8-28)31-15-18-33-32-17-14-29(23-36(32)45(3)37(33)24-31)44(2)27-12-10-26(11-13-27)40(41,42)43/h4-24H,1-3H3
InChIKeyFAVDZXMVIDGDRP-UHFFFAOYSA-N
XLogP12.26
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.76
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-Bis(9H-carbazol-9-yl)dibenzothiophene
CID 59348313
1,2-Bis[2-methyl-5-(9-ethyl-9H-carbazole-3-yl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene
CID 102047352
9-Ethyl-3-[3-[2-[5-(9-ethylcarbazol-3-yl)-2-methylsulfanylphenyl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-4-methylsulfanylphenyl]carbazole
CID 123904322
3-[3,3,4,4,5,5-Hexafluoro-2-(1,2-dimethyl-1H-indole-3-yl)-1-cyclopentenyl]-2-methyl-1-benzothiophene
CID 12172793
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593192
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenyl)sulfanylphenyl]-7-N-phenylcarbazole-2,7-diamine
CID 23593195
7-N-(7,9-dimethylcarbazol-2-yl)-7-N-(2,4-dimethylphenyl)-2-N,9-dimethyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593238
2-N,9-dimethyl-7-N-[4-(4-methylphenyl)sulfanylphenyl]-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593280
Bromo-[[3-[2-[6-[[bromo(triphenyl)-lambda5-phosphanyl]methyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methyl-1-benzothiophen-6-yl]methyl]-triphenyl-lambda5-phosphane
CID 58738343
6-Ethenyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole
CID 59080059
4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585231
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine
CID 68016359

Frequently Asked Questions

What is the IUPAC name of 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The IUPAC name of 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine (CID 23593277) is 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine.
What is the SMILES notation for 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The canonical SMILES for 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine is Cc1ccc2sc3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3c2c1.
What is the InChIKey of 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The InChIKey is FAVDZXMVIDGDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30F3N3S/c1-25-9-19-38-34(21-25)35-22-30(16-20-39(35)47-38)46(28-7-5-4-6-8-28)31-15-18-33-32-17-14-29(23-36(32)45(3)37(33)24-31)44(2)27-12-10-26(11-13-27)40(41,42)43/h4-24H,1-3H3.
What are the key properties of 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine has a molecular weight of 641.76 g/mol, XLogP of 12.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine is sourced from PubChem (CID 23593277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).