N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline

C37H27FN2 — CID 90194000

IUPACN-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5)c5ccc(F)cc5)cc4)ccc32)cc1
InChIInChI=1S/C37H27FN2/c1-26-11-18-33(19-12-26)40-36-10-6-5-9-34(36)35-25-28(15-24-37(35)40)27-13-20-31(21-14-27)39(30-7-3-2-4-8-30)32-22-16-29(38)17-23-32/h2-25H,1H3
InChIKeyCACHQZZBAHWDDI-UHFFFAOYSA-N
MW518.64 g/mol
LogP10.37
Rot. Bonds5

About N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline

N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline (PubChem CID 90194000) has the molecular formula C37H27FN2 and a molecular weight of 518.64 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
PubChem CID90194000
Molecular FormulaC37H27FN2
Molecular Weight518.64 g/mol
Exact Mass518.22
IUPAC NameN-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5)c5ccc(F)cc5)cc4)ccc32)cc1
InChIInChI=1S/C37H27FN2/c1-26-11-18-33(19-12-26)40-36-10-6-5-9-34(36)35-25-28(15-24-37(35)40)27-13-20-31(21-14-27)39(30-7-3-2-4-8-30)32-22-16-29(38)17-23-32/h2-25H,1H3
InChIKeyCACHQZZBAHWDDI-UHFFFAOYSA-N
XLogP10.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.64
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-bis(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 159229959
N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine
CID 140704888
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359
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
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]-N-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(4-fluorophenyl)phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-phenylaniline;N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 159084077
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
CID 90193949
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline?
The IUPAC name of N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline (CID 90194000) is N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline.
What is the SMILES notation for N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline?
The canonical SMILES for N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5)c5ccc(F)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline?
The InChIKey is CACHQZZBAHWDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27FN2/c1-26-11-18-33(19-12-26)40-36-10-6-5-9-34(36)35-25-28(15-24-37(35)40)27-13-20-31(21-14-27)39(30-7-3-2-4-8-30)32-22-16-29(38)17-23-32/h2-25H,1H3.
What are the key properties of N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline?
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline has a molecular weight of 518.64 g/mol, XLogP of 10.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline is sourced from PubChem (CID 90194000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).