N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine

C42H26F3N3 — CID 138548978

IUPACN,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine
SMILESFc1ccc(N(c2cccc3c2c2ccccc2n3-c2ccc(F)cc2)c2cccc3c2c2ccccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C42H26F3N3/c43-27-15-21-30(22-16-27)46-35-9-3-1-7-33(35)41-37(46)11-5-13-39(41)48(32-25-19-29(45)20-26-32)40-14-6-12-38-42(40)34-8-2-4-10-36(34)47(38)31-23-17-28(44)18-24-31/h1-26H
InChIKeyWIEDWVIJSQBCEV-UHFFFAOYSA-N
MW629.69 g/mol
LogP11.77
Rot. Bonds5

About N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine

N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine (PubChem CID 138548978) has the molecular formula C42H26F3N3 and a molecular weight of 629.69 g/mol. Its IUPAC name is N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine.

Molecular Properties

Compound NameN,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine
PubChem CID138548978
Molecular FormulaC42H26F3N3
Molecular Weight629.69 g/mol
Exact Mass629.21
IUPAC NameN,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine
SMILESFc1ccc(N(c2cccc3c2c2ccccc2n3-c2ccc(F)cc2)c2cccc3c2c2ccccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C42H26F3N3/c43-27-15-21-30(22-16-27)46-35-9-3-1-7-33(35)41-37(46)11-5-13-39(41)48(32-25-19-29(45)20-26-32)40-14-6-12-38-42(40)34-8-2-4-10-36(34)47(38)31-23-17-28(44)18-24-31/h1-26H
InChIKeyWIEDWVIJSQBCEV-UHFFFAOYSA-N
XLogP11.77
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.69
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine
CID 138549138
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine
CID 138549107
N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine
CID 59211090
9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377540
N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
CID 155004275
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
N,N,9-tris(4-phenylphenyl)carbazol-2-amine;N,N,9-tris(4-phenylphenyl)carbazol-3-amine;N,N,9-tris(4-phenylphenyl)carbazol-4-amine
CID 159285167
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
9-(4-methoxyphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377538
9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine
CID 172537492
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol
CID 175977986

Frequently Asked Questions

What is the IUPAC name of N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine?
The IUPAC name of N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine (CID 138548978) is N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine.
What is the SMILES notation for N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine?
The canonical SMILES for N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine is Fc1ccc(N(c2cccc3c2c2ccccc2n3-c2ccc(F)cc2)c2cccc3c2c2ccccc2n3-c2ccc(F)cc2)cc1.
What is the InChIKey of N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine?
The InChIKey is WIEDWVIJSQBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26F3N3/c43-27-15-21-30(22-16-27)46-35-9-3-1-7-33(35)41-37(46)11-5-13-39(41)48(32-25-19-29(45)20-26-32)40-14-6-12-38-42(40)34-8-2-4-10-36(34)47(38)31-23-17-28(44)18-24-31/h1-26H.
What are the key properties of N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine?
N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine has a molecular weight of 629.69 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine is sourced from PubChem (CID 138548978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).