N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine

C44H27F6N3 — CID 59760477

IUPACN-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
SMILESFc1cc(F)c(Cn2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5Cc4c(F)cc(F)cc4F)ccc32)c(F)c1
InChIInChI=1S/C44H27F6N3/c45-26-18-37(47)35(38(48)19-26)24-51-41-12-6-4-10-31(41)33-22-29(14-16-43(33)51)53(28-8-2-1-3-9-28)30-15-17-44-34(23-30)32-11-5-7-13-42(32)52(44)25-36-39(49)20-27(46)21-40(36)50/h1-23H,24-25H2
InChIKeyOPWWJBPOVJRNJA-UHFFFAOYSA-N
MW711.71 g/mol
LogP12.30
Rot. Bonds7

About N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine

N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine (PubChem CID 59760477) has the molecular formula C44H27F6N3 and a molecular weight of 711.71 g/mol. Its IUPAC name is N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine.

Molecular Properties

Compound NameN-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
PubChem CID59760477
Molecular FormulaC44H27F6N3
Molecular Weight711.71 g/mol
Exact Mass711.21
IUPAC NameN-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
SMILESFc1cc(F)c(Cn2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5Cc4c(F)cc(F)cc4F)ccc32)c(F)c1
InChIInChI=1S/C44H27F6N3/c45-26-18-37(47)35(38(48)19-26)24-51-41-12-6-4-10-31(41)33-22-29(14-16-43(33)51)53(28-8-2-1-3-9-28)30-15-17-44-34(23-30)32-11-5-7-13-42(32)52(44)25-36-39(49)20-27(46)21-40(36)50/h1-23H,24-25H2
InChIKeyOPWWJBPOVJRNJA-UHFFFAOYSA-N
XLogP12.30
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.71
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760482
9-[(3,4-difluorophenyl)methyl]-N-[9-[(3,4-difluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760466
N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
CID 59760502
9-[(3-fluoro-4-iodophenyl)methyl]-N-[9-[(3-fluoro-4-iodophenyl)methyl]carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine
CID 147253254
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
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-diphenyl-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 89417765
9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 59844911
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887
4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 59844234
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine?
The IUPAC name of N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine (CID 59760477) is N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine.
What is the SMILES notation for N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine?
The canonical SMILES for N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine is Fc1cc(F)c(Cn2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5Cc4c(F)cc(F)cc4F)ccc32)c(F)c1.
What is the InChIKey of N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine?
The InChIKey is OPWWJBPOVJRNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27F6N3/c45-26-18-37(47)35(38(48)19-26)24-51-41-12-6-4-10-31(41)33-22-29(14-16-43(33)51)53(28-8-2-1-3-9-28)30-15-17-44-34(23-30)32-11-5-7-13-42(32)52(44)25-36-39(49)20-27(46)21-40(36)50/h1-23H,24-25H2.
What are the key properties of N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine?
N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine has a molecular weight of 711.71 g/mol, XLogP of 12.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine is sourced from PubChem (CID 59760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).