4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile

C37H25N — CID 102136380

IUPAC4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H25N/c38-26-27-6-8-29(9-7-27)31-14-16-33(17-15-31)35-22-24-37(25-23-35)36-20-18-34(19-21-36)32-12-10-30(11-13-32)28-4-2-1-3-5-28/h1-25H
InChIKeyDNLDFQQTTHDENS-UHFFFAOYSA-N
MW483.61 g/mol
LogP9.89
Rot. Bonds5

About 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile

4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile (PubChem CID 102136380) has the molecular formula C37H25N and a molecular weight of 483.61 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
PubChem CID102136380
Molecular FormulaC37H25N
Molecular Weight483.61 g/mol
Exact Mass483.20
IUPAC Name4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H25N/c38-26-27-6-8-29(9-7-27)31-14-16-33(17-15-31)35-22-24-37(25-23-35)36-20-18-34(19-21-36)32-12-10-30(11-13-32)28-4-2-1-3-5-28/h1-25H
InChIKeyDNLDFQQTTHDENS-UHFFFAOYSA-N
XLogP9.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azulene-6-carbonitrile
CID 91533837
4-[(4-cyanophenyl)-(4-phenylphenyl)methyl]benzonitrile
CID 150609775
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
(14N)benzonitrile
CID 102268532
4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
CID 176994414
4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
CID 89036096
4-(6,9,10-triphenylanthracen-2-yl)benzonitrile
CID 89026925
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-(N-(4-bromophenyl)-4-phenylanilino)benzonitrile
CID 90130289
N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-phenylphenyl)aniline;4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 158714904
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile (CID 102136380) is 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile?
The InChIKey is DNLDFQQTTHDENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N/c38-26-27-6-8-29(9-7-27)31-14-16-33(17-15-31)35-22-24-37(25-23-35)36-20-18-34(19-21-36)32-12-10-30(11-13-32)28-4-2-1-3-5-28/h1-25H.
What are the key properties of 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile?
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile has a molecular weight of 483.61 g/mol, XLogP of 9.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile is sourced from PubChem (CID 102136380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).