9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine

C54H38FN3 — CID 163706224

IUPAC9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
SMILES[2H]c1c([2H])c(-c2c([2H])c([2H])c(N(c3ccccc3)c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C54H38FN3/c55-43-28-34-49(35-29-43)58-53-19-11-10-18-51(53)52-38-50(36-37-54(52)58)57(46-16-8-3-9-17-46)48-32-26-42(27-33-48)40-22-20-39(21-23-40)41-24-30-47(31-25-41)56(44-12-4-1-5-13-44)45-14-6-2-7-15-45/h1-38H/i20D,21D,22D,23D,24D,25D,30D,31D
InChIKeyWYRBURQNKOHEPM-USMLFIAWSA-N
MW755.97 g/mol
LogP15.20
Rot. Bonds9

About 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine

9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine (PubChem CID 163706224) has the molecular formula C54H38FN3 and a molecular weight of 755.97 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
PubChem CID163706224
Molecular FormulaC54H38FN3
Molecular Weight755.97 g/mol
Exact Mass755.36
IUPAC Name9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
SMILES[2H]c1c([2H])c(-c2c([2H])c([2H])c(N(c3ccccc3)c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C54H38FN3/c55-43-28-34-49(35-29-43)58-53-19-11-10-18-51(53)52-38-50(36-37-54(52)58)57(46-16-8-3-9-17-46)48-32-26-42(27-33-48)40-22-20-39(21-23-40)41-24-30-47(31-25-41)56(44-12-4-1-5-13-44)45-14-6-2-7-15-45/h1-38H/i20D,21D,22D,23D,24D,25D,30D,31D
InChIKeyWYRBURQNKOHEPM-USMLFIAWSA-N
XLogP15.20
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.97
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]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

Related Compounds

9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 165384299
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
CID 90194000
N,9-bis(4-fluorophenyl)-N-[4-(4-triphenylgermylphenyl)phenyl]carbazol-3-amine
CID 140704816
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine (CID 163706224) is 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine is [2H]c1c([2H])c(-c2c([2H])c([2H])c(N(c3ccccc3)c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine?
The InChIKey is WYRBURQNKOHEPM-USMLFIAWSA-N. The full InChI is InChI=1S/C54H38FN3/c55-43-28-34-49(35-29-43)58-53-19-11-10-18-51(53)52-38-50(36-37-54(52)58)57(46-16-8-3-9-17-46)48-32-26-42(27-33-48)40-22-20-39(21-23-40)41-24-30-47(31-25-41)56(44-12-4-1-5-13-44)45-14-6-2-7-15-45/h1-38H/i20D,21D,22D,23D,24D,25D,30D,31D.
What are the key properties of 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine?
9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine has a molecular weight of 755.97 g/mol, XLogP of 15.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 163706224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).