9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine

C50H33F4N3 — CID 59760466

IUPAC9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESFc1ccc(Cn2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5Cc4ccc(F)c(F)c4)ccc32)cc1F
InChIInChI=1S/C50H33F4N3/c51-43-22-14-32(26-45(43)53)30-55-47-12-6-4-10-39(47)41-28-37(20-24-49(41)55)57(36-18-16-35(17-19-36)34-8-2-1-3-9-34)38-21-25-50-42(29-38)40-11-5-7-13-48(40)56(50)31-33-15-23-44(52)46(54)27-33/h1-29H,30-31H2
InChIKeyQCUINWLQIZYMPK-UHFFFAOYSA-N
MW751.83 g/mol
LogP13.69
Rot. Bonds8

About 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine

9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 59760466) has the molecular formula C50H33F4N3 and a molecular weight of 751.83 g/mol. Its IUPAC name is 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID59760466
Molecular FormulaC50H33F4N3
Molecular Weight751.83 g/mol
Exact Mass751.26
IUPAC Name9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESFc1ccc(Cn2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5Cc4ccc(F)c(F)c4)ccc32)cc1F
InChIInChI=1S/C50H33F4N3/c51-43-22-14-32(26-45(43)53)30-55-47-12-6-4-10-39(47)41-28-37(20-24-49(41)55)57(36-18-16-35(17-19-36)34-8-2-1-3-9-34)38-21-25-50-42(29-38)40-11-5-7-13-48(40)56(50)31-33-15-23-44(52)46(54)27-33/h1-29H,30-31H2
InChIKeyQCUINWLQIZYMPK-UHFFFAOYSA-N
XLogP13.69
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.83
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)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)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760482
9-[(3-fluoro-4-iodophenyl)methyl]-N-[9-[(3-fluoro-4-iodophenyl)methyl]carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine
CID 147253254
9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760541
N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844914
N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
CID 59760502
N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
CID 59760477
4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59760508
23-ethyl-N,N-bis(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 86677000
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
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
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190

Frequently Asked Questions

What is the IUPAC name of 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine (CID 59760466) is 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine is Fc1ccc(Cn2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5Cc4ccc(F)c(F)c4)ccc32)cc1F.
What is the InChIKey of 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is QCUINWLQIZYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33F4N3/c51-43-22-14-32(26-45(43)53)30-55-47-12-6-4-10-39(47)41-28-37(20-24-49(41)55)57(36-18-16-35(17-19-36)34-8-2-1-3-9-34)38-21-25-50-42(29-38)40-11-5-7-13-48(40)56(50)31-33-15-23-44(52)46(54)27-33/h1-29H,30-31H2.
What are the key properties of 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?
9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 751.83 g/mol, XLogP of 13.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 59760466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).