4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine

C42H30FN3 — CID 59844234

IUPAC4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
SMILESFc1ccccc1N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C42H30FN3/c43-39-21-11-13-23-42(39)45(35-26-24-34(25-27-35)44(31-14-4-1-5-15-31)32-16-6-2-7-17-32)36-28-29-41-38(30-36)37-20-10-12-22-40(37)46(41)33-18-8-3-9-19-33/h1-30H
InChIKeyVXQQIKCYAJTOAL-UHFFFAOYSA-N
MW595.72 g/mol
LogP11.86
Rot. Bonds7

About 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine

4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine (PubChem CID 59844234) has the molecular formula C42H30FN3 and a molecular weight of 595.72 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
PubChem CID59844234
Molecular FormulaC42H30FN3
Molecular Weight595.72 g/mol
Exact Mass595.24
IUPAC Name4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
SMILESFc1ccccc1N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C42H30FN3/c43-39-21-11-13-23-42(39)45(35-26-24-34(25-27-35)44(31-14-4-1-5-15-31)32-16-6-2-7-17-32)36-28-29-41-38(30-36)37-20-10-12-22-40(37)46(41)33-18-8-3-9-19-33/h1-30H
InChIKeyVXQQIKCYAJTOAL-UHFFFAOYSA-N
XLogP11.86
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.72
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
CID 59844854
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844901
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,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,9-diphenylcarbazol-3-amine
CID 90181897
N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844914
4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59760508

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine (CID 59844234) is 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine is Fc1ccccc1N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
The InChIKey is VXQQIKCYAJTOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30FN3/c43-39-21-11-13-23-42(39)45(35-26-24-34(25-27-35)44(31-14-4-1-5-15-31)32-16-6-2-7-17-32)36-28-29-41-38(30-36)37-20-10-12-22-40(37)46(41)33-18-8-3-9-19-33/h1-30H.
What are the key properties of 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine?
4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine has a molecular weight of 595.72 g/mol, XLogP of 11.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 59844234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).