N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine

C42H30FN3 — CID 138528996

IUPACN-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(-c5ccc(Nc6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C42H30FN3/c43-32-19-25-37(26-20-32)46-41-14-8-7-13-39(41)40-29-38(27-28-42(40)46)45(35-11-5-2-6-12-35)36-23-17-31(18-24-36)30-15-21-34(22-16-30)44-33-9-3-1-4-10-33/h1-29,44H
InChIKeyDYOUQJCVFZXCME-UHFFFAOYSA-N
MW595.72 g/mol
LogP11.80
Rot. Bonds7

About N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine

N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine (PubChem CID 138528996) has the molecular formula C42H30FN3 and a molecular weight of 595.72 g/mol. Its IUPAC name is N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
PubChem CID138528996
Molecular FormulaC42H30FN3
Molecular Weight595.72 g/mol
Exact Mass595.24
IUPAC NameN-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(-c5ccc(Nc6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C42H30FN3/c43-32-19-25-37(26-20-32)46-41-14-8-7-13-39(41)40-29-38(27-28-42(40)46)45(35-11-5-2-6-12-35)36-23-17-31(18-24-36)30-15-21-34(22-16-30)44-33-9-3-1-4-10-33/h1-29,44H
InChIKeyDYOUQJCVFZXCME-UHFFFAOYSA-N
XLogP11.80
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.72
LogP ≤ 511.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N,9-bis(4-fluorophenyl)-N-[4-(4-triphenylgermylphenyl)phenyl]carbazol-3-amine
CID 140704816
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
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
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
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-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
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-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine
CID 140704888

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
The IUPAC name of N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine (CID 138528996) is N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
The canonical SMILES for N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(-c5ccc(Nc6ccccc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
The InChIKey is DYOUQJCVFZXCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30FN3/c43-32-19-25-37(26-20-32)46-41-14-8-7-13-39(41)40-29-38(27-28-42(40)46)45(35-11-5-2-6-12-35)36-23-17-31(18-24-36)30-15-21-34(22-16-30)44-33-9-3-1-4-10-33/h1-29,44H.
What are the key properties of N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine has a molecular weight of 595.72 g/mol, XLogP of 11.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine is sourced from PubChem (CID 138528996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).