N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline

C54H37FN2 — CID 164832089

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline
SMILESFc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37FN2/c55-44-27-31-47(32-28-44)56(46-29-23-38(24-30-46)42-25-33-49(39-13-4-1-5-14-39)51(36-42)40-15-6-2-7-16-40)48-20-12-17-41(35-48)43-26-34-54-52(37-43)50-21-10-11-22-53(50)57(54)45-18-8-3-9-19-45/h1-37H
InChIKeyIWBXAPBZHZBMGK-UHFFFAOYSA-N
MW732.90 g/mol
LogP15.06
Rot. Bonds8

About N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline

N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline (PubChem CID 164832089) has the molecular formula C54H37FN2 and a molecular weight of 732.90 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline
PubChem CID164832089
Molecular FormulaC54H37FN2
Molecular Weight732.90 g/mol
Exact Mass732.29
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline
SMILESFc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37FN2/c55-44-27-31-47(32-28-44)56(46-29-23-38(24-30-46)42-25-33-49(39-13-4-1-5-14-39)51(36-42)40-15-6-2-7-16-40)48-20-12-17-41(35-48)43-26-34-54-52(37-43)50-21-10-11-22-53(50)57(54)45-18-8-3-9-19-45/h1-37H
InChIKeyIWBXAPBZHZBMGK-UHFFFAOYSA-N
XLogP15.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.90
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
CID 90193949
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337481
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
CID 90194000
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline (CID 164832089) is N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline is Fc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is IWBXAPBZHZBMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37FN2/c55-44-27-31-47(32-28-44)56(46-29-23-38(24-30-46)42-25-33-49(39-13-4-1-5-14-39)51(36-42)40-15-6-2-7-16-40)48-20-12-17-41(35-48)43-26-34-54-52(37-43)50-21-10-11-22-53(50)57(54)45-18-8-3-9-19-45/h1-37H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline?
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 732.90 g/mol, XLogP of 15.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 164832089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).