2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile

C35H22N2 — CID 118410708

IUPAC2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile
SMILESN#Cc1ccccc1N(c1ccccc1)c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C35H22N2/c36-23-25-9-4-7-16-34(25)37(26-10-2-1-3-11-26)27-19-17-24(18-20-27)28-21-22-33-30-13-6-5-12-29(30)32-15-8-14-31(28)35(32)33/h1-22H
InChIKeyMCZQAHNLVNHBHU-UHFFFAOYSA-N
MW470.58 g/mol
LogP9.50
Rot. Bonds4

About 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile

2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile (PubChem CID 118410708) has the molecular formula C35H22N2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile.

Molecular Properties

Compound Name2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile
PubChem CID118410708
Molecular FormulaC35H22N2
Molecular Weight470.58 g/mol
Exact Mass470.18
IUPAC Name2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile
SMILESN#Cc1ccccc1N(c1ccccc1)c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C35H22N2/c36-23-25-9-4-7-16-34(25)37(26-10-2-1-3-11-26)27-19-17-24(18-20-27)28-21-22-33-30-13-6-5-12-29(30)32-15-8-14-31(28)35(32)33/h1-22H
InChIKeyMCZQAHNLVNHBHU-UHFFFAOYSA-N
XLogP9.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine
CID 118410702
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoren-4-amine
CID 139499292
2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847250
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
2-[3-(2-cyanophenyl)-2-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]benzonitrile
CID 122435878
2-(3-naphthalen-1-yl-N-[6-(2-phenylphenyl)dibenzofuran-1-yl]anilino)benzonitrile
CID 176630518
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]naphthalene-1-carbonitrile
CID 70847157

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile?
The IUPAC name of 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile (CID 118410708) is 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile.
What is the SMILES notation for 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile?
The canonical SMILES for 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile is N#Cc1ccccc1N(c1ccccc1)c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.
What is the InChIKey of 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile?
The InChIKey is MCZQAHNLVNHBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2/c36-23-25-9-4-7-16-34(25)37(26-10-2-1-3-11-26)27-19-17-24(18-20-27)28-21-22-33-30-13-6-5-12-29(30)32-15-8-14-31(28)35(32)33/h1-22H.
What are the key properties of 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile?
2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile has a molecular weight of 470.58 g/mol, XLogP of 9.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile is sourced from PubChem (CID 118410708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).