2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine

C33H27F3N4 — CID 23593275

IUPAC2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c4ccc(N(C)c5ccc(C(F)(F)F)cc5)cc4n(C)c3c2)n1
InChIInChI=1S/C33H27F3N4/c1-22-8-7-11-32(37-22)40(25-9-5-4-6-10-25)27-17-19-29-28-18-16-26(20-30(28)39(3)31(29)21-27)38(2)24-14-12-23(13-15-24)33(34,35)36/h4-21H,1-3H3
InChIKeyYWFNLVKWZONEPP-UHFFFAOYSA-N
MW536.60 g/mol
LogP9.29
Rot. Bonds5

About 2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine

2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine (PubChem CID 23593275) has the molecular formula C33H27F3N4 and a molecular weight of 536.60 g/mol. Its IUPAC name is 2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine.

Molecular Properties

Compound Name2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
PubChem CID23593275
Molecular FormulaC33H27F3N4
Molecular Weight536.60 g/mol
Exact Mass536.22
IUPAC Name2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c4ccc(N(C)c5ccc(C(F)(F)F)cc5)cc4n(C)c3c2)n1
InChIInChI=1S/C33H27F3N4/c1-22-8-7-11-32(37-22)40(25-9-5-4-6-10-25)27-17-19-29-28-18-16-26(20-30(28)39(3)31(29)21-27)38(2)24-14-12-23(13-15-24)33(34,35)36/h4-21H,1-3H3
InChIKeyYWFNLVKWZONEPP-UHFFFAOYSA-N
XLogP9.29
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.60
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The IUPAC name of 2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine (CID 23593275) is 2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine.
What is the SMILES notation for 2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The canonical SMILES for 2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine is Cc1cccc(N(c2ccccc2)c2ccc3c4ccc(N(C)c5ccc(C(F)(F)F)cc5)cc4n(C)c3c2)n1.
What is the InChIKey of 2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The InChIKey is YWFNLVKWZONEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F3N4/c1-22-8-7-11-32(37-22)40(25-9-5-4-6-10-25)27-17-19-29-28-18-16-26(20-30(28)39(3)31(29)21-27)38(2)24-14-12-23(13-15-24)33(34,35)36/h4-21H,1-3H3.
What are the key properties of 2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
2-N,9-dimethyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine has a molecular weight of 536.60 g/mol, XLogP of 9.29, 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-(6-methyl-2-pyridinyl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine is sourced from PubChem (CID 23593275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).