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

C43H37F3N4 — CID 23593238

About 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

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 (PubChem CID 23593238) has the molecular formula C43H37F3N4 and a molecular weight of 666.79 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 23593238
• Molecular Formula: C43H37F3N4
• Molecular Weight: 666.79 g/mol
• Exact Mass: 666.30
• IUPAC Name: 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
• SMILES: Cc1ccc(N(c2ccc3c4ccc(C)cc4n(C)c3c2)c2ccc3c4ccc(N(C)c5ccc(C(F)(F)F)cc5)cc4n(C)c3c2)c(C)c1
• InChI: InChI=1S/C43H37F3N4/c1-26-8-20-38(28(3)21-26)50(32-14-18-36-34-16-7-27(2)22-39(34)48(5)41(36)24-32)33-15-19-37-35-17-13-31(23-40(35)49(6)42(37)25-33)47(4)30-11-9-29(10-12-30)43(44,45)46/h7-25H,1-6H3
• InChIKey: NMHQUWREXJZZQD-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.79
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccc(N(c2ccc3c4ccc(C)cc4n(C)c3c2)c2ccc3c4ccc(N(C)c5ccc(C(F)(F)F)cc5)cc4n(C)c3c2)c(C)c1.

What is the InChIKey of 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?

The InChIKey is NMHQUWREXJZZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37F3N4/c1-26-8-20-38(28(3)21-26)50(32-14-18-36-34-16-7-27(2)22-39(34)48(5)41(36)24-32)33-15-19-37-35-17-13-31(23-40(35)49(6)42(37)25-33)47(4)30-11-9-29(10-12-30)43(44,45)46/h7-25H,1-6H3.

What are the key properties of 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?

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 has a molecular weight of 666.79 g/mol, XLogP of 12.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 23593238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).