3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine

C35H30F3N3 — CID 71202836

IUPAC3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine
SMILESCc1cccc(N(C)c2ccc3c(c2)c2cc(N(C)c4cccc(C(F)(F)F)c4)ccc2n3-c2cccc(C)c2)c1
InChIInChI=1S/C35H30F3N3/c1-23-8-5-11-26(18-23)39(3)28-14-16-33-31(21-28)32-22-29(40(4)27-12-7-10-25(20-27)35(36,37)38)15-17-34(32)41(33)30-13-6-9-24(2)19-30/h5-22H,1-4H3
InChIKeyJWXUCRDEILCMAM-UHFFFAOYSA-N
MW549.64 g/mol
LogP9.96
Rot. Bonds5

About 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine

3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine (PubChem CID 71202836) has the molecular formula C35H30F3N3 and a molecular weight of 549.64 g/mol. Its IUPAC name is 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine
PubChem CID71202836
Molecular FormulaC35H30F3N3
Molecular Weight549.64 g/mol
Exact Mass549.24
IUPAC Name3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine
SMILESCc1cccc(N(C)c2ccc3c(c2)c2cc(N(C)c4cccc(C(F)(F)F)c4)ccc2n3-c2cccc(C)c2)c1
InChIInChI=1S/C35H30F3N3/c1-23-8-5-11-26(18-23)39(3)28-14-16-33-31(21-28)32-22-29(40(4)27-12-7-10-25(20-27)35(36,37)38)15-17-34(32)41(33)30-13-6-9-24(2)19-30/h5-22H,1-4H3
InChIKeyJWXUCRDEILCMAM-UHFFFAOYSA-N
XLogP9.96
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.64
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-methoxyphenyl)-N,6-dimethyl-N-(3-methylphenyl)carbazol-3-amine
CID 23597819
3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 88567791
N,7,9,9-tetramethyl-N-[3-(trifluoromethyl)phenyl]fluoren-2-amine
CID 23593235
N-methyl-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 58903567
ethane;N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 91535424
1-(3-methylphenyl)-4,5-bis(sulfanyl)-3-[3-(trifluoromethyl)phenyl]imidazole-2-thione
CID 158479987
3-carbazol-9-yl-N-methyl-N-phenylaniline
CID 59211086
3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole
CID 89368394
ethane;9-(3-methylphenyl)carbazole
CID 143904684
9-(3-methylphenyl)-N-[9-(3-methylphenyl)carbazol-3-yl]-N-naphthalen-1-ylcarbazol-3-amine
CID 148860377
N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 159634715
N-(3-carbazol-9-ylphenyl)-N-methylnaphthalen-2-amine
CID 58903517

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine?
The IUPAC name of 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine (CID 71202836) is 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine?
The canonical SMILES for 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine is Cc1cccc(N(C)c2ccc3c(c2)c2cc(N(C)c4cccc(C(F)(F)F)c4)ccc2n3-c2cccc(C)c2)c1.
What is the InChIKey of 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine?
The InChIKey is JWXUCRDEILCMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F3N3/c1-23-8-5-11-26(18-23)39(3)28-14-16-33-31(21-28)32-22-29(40(4)27-12-7-10-25(20-27)35(36,37)38)15-17-34(32)41(33)30-13-6-9-24(2)19-30/h5-22H,1-4H3.
What are the key properties of 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine?
3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine has a molecular weight of 549.64 g/mol, XLogP of 9.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 71202836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).