N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine

C45H29F6N3 — CID 59760502

IUPACN-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)c2ccccc2n3Cc2cc(F)c(F)cc2F)c2ccc3c(c2)c2ccccc2n3Cc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C45H29F6N3/c1-26-10-12-29(13-11-26)54(30-14-16-44-34(20-30)32-6-2-4-8-42(32)52(44)24-27-18-38(48)40(50)22-36(27)46)31-15-17-45-35(21-31)33-7-3-5-9-43(33)53(45)25-28-19-39(49)41(51)23-37(28)47/h2-23H,24-25H2,1H3
InChIKeyHASPEGQNWXXHQY-UHFFFAOYSA-N
MW725.74 g/mol
LogP12.61
Rot. Bonds7

About N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine

N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine (PubChem CID 59760502) has the molecular formula C45H29F6N3 and a molecular weight of 725.74 g/mol. Its IUPAC name is N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
PubChem CID59760502
Molecular FormulaC45H29F6N3
Molecular Weight725.74 g/mol
Exact Mass725.23
IUPAC NameN-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)c2ccccc2n3Cc2cc(F)c(F)cc2F)c2ccc3c(c2)c2ccccc2n3Cc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C45H29F6N3/c1-26-10-12-29(13-11-26)54(30-14-16-44-34(20-30)32-6-2-4-8-42(32)52(44)24-27-18-38(48)40(50)22-36(27)46)31-15-17-45-35(21-31)33-7-3-5-9-43(33)53(45)25-28-19-39(49)41(51)23-37(28)47/h2-23H,24-25H2,1H3
InChIKeyHASPEGQNWXXHQY-UHFFFAOYSA-N
XLogP12.61
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.74
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine?
The IUPAC name of N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine (CID 59760502) is N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine?
The canonical SMILES for N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine is Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3Cc2cc(F)c(F)cc2F)c2ccc3c(c2)c2ccccc2n3Cc2cc(F)c(F)cc2F)cc1.
What is the InChIKey of N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine?
The InChIKey is HASPEGQNWXXHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29F6N3/c1-26-10-12-29(13-11-26)54(30-14-16-44-34(20-30)32-6-2-4-8-42(32)52(44)24-27-18-38(48)40(50)22-36(27)46)31-15-17-45-35(21-31)33-7-3-5-9-43(33)53(45)25-28-19-39(49)41(51)23-37(28)47/h2-23H,24-25H2,1H3.
What are the key properties of N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine?
N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine has a molecular weight of 725.74 g/mol, XLogP of 12.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine is sourced from PubChem (CID 59760502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).