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

C41H33F3N4 — CID 23593241

IUPAC7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
SMILESCc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3n(C)c2c1
InChIInChI=1S/C41H33F3N4/c1-26-10-18-33-35-20-16-31(24-39(35)46(3)37(33)22-26)48(29-8-6-5-7-9-29)32-17-21-36-34-19-15-30(23-38(34)47(4)40(36)25-32)45(2)28-13-11-27(12-14-28)41(42,43)44/h5-25H,1-4H3
InChIKeyZAJOZIDMKQRAAO-UHFFFAOYSA-N
MW638.74 g/mol
LogP11.54
Rot. Bonds5

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

7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine (PubChem CID 23593241) has the molecular formula C41H33F3N4 and a molecular weight of 638.74 g/mol. Its IUPAC name is 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine.

Molecular Properties

Compound Name7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
PubChem CID23593241
Molecular FormulaC41H33F3N4
Molecular Weight638.74 g/mol
Exact Mass638.27
IUPAC Name7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
SMILESCc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3n(C)c2c1
InChIInChI=1S/C41H33F3N4/c1-26-10-18-33-35-20-16-31(24-39(35)46(3)37(33)22-26)48(29-8-6-5-7-9-29)32-17-21-36-34-19-15-30(23-38(34)47(4)40(36)25-32)45(2)28-13-11-27(12-14-28)41(42,43)44/h5-25H,1-4H3
InChIKeyZAJOZIDMKQRAAO-UHFFFAOYSA-N
XLogP11.54
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.74
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The IUPAC name of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine (CID 23593241) is 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine.
What is the SMILES notation for 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The canonical SMILES for 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine is Cc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3n(C)c2c1.
What is the InChIKey of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The InChIKey is ZAJOZIDMKQRAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33F3N4/c1-26-10-18-33-35-20-16-31(24-39(35)46(3)37(33)22-26)48(29-8-6-5-7-9-29)32-17-21-36-34-19-15-30(23-38(34)47(4)40(36)25-32)45(2)28-13-11-27(12-14-28)41(42,43)44/h5-25H,1-4H3.
What are the key properties of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
7-N-(7,9-dimethylcarbazol-2-yl)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine has a molecular weight of 638.74 g/mol, XLogP of 11.54, 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)-2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine is sourced from PubChem (CID 23593241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).