1-isocyano-2-(3-phenylphenyl)benzene

C19H13N — CID 91252150

IUPAC1-isocyano-2-(3-phenylphenyl)benzene
SMILES[C-]#[N+]c1ccccc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H13N/c1-20-19-13-6-5-12-18(19)17-11-7-10-16(14-17)15-8-3-2-4-9-15/h2-14H
InChIKeyVESKXOIFEQCLGR-UHFFFAOYSA-N
MW255.32 g/mol
LogP5.57
Rot. Bonds2

About 1-isocyano-2-(3-phenylphenyl)benzene

1-isocyano-2-(3-phenylphenyl)benzene (PubChem CID 91252150) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-isocyano-2-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1-isocyano-2-(3-phenylphenyl)benzene
PubChem CID91252150
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name1-isocyano-2-(3-phenylphenyl)benzene
SMILES[C-]#[N+]c1ccccc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H13N/c1-20-19-13-6-5-12-18(19)17-11-7-10-16(14-17)15-8-3-2-4-9-15/h2-14H
InChIKeyVESKXOIFEQCLGR-UHFFFAOYSA-N
XLogP5.57
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.32
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(2-isocyanophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158728702
1-isocyano-2-(3-methylphenyl)benzene
CID 165176431
2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 162069098
1,2-diisocyano-3-(4-phenylphenyl)benzene
CID 91137107
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1,2-difluoro-4-(2-isocyanophenyl)benzene
CID 176914767
2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
9-[3-(2-isocyanophenyl)-5-(6-phenyl-2-pyridinyl)phenyl]-2-(3-phenylphenyl)carbazole
CID 140922445

Frequently Asked Questions

What is the IUPAC name of 1-isocyano-2-(3-phenylphenyl)benzene?
The IUPAC name of 1-isocyano-2-(3-phenylphenyl)benzene (CID 91252150) is 1-isocyano-2-(3-phenylphenyl)benzene.
What is the SMILES notation for 1-isocyano-2-(3-phenylphenyl)benzene?
The canonical SMILES for 1-isocyano-2-(3-phenylphenyl)benzene is [C-]#[N+]c1ccccc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-isocyano-2-(3-phenylphenyl)benzene?
The InChIKey is VESKXOIFEQCLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c1-20-19-13-6-5-12-18(19)17-11-7-10-16(14-17)15-8-3-2-4-9-15/h2-14H.
What are the key properties of 1-isocyano-2-(3-phenylphenyl)benzene?
1-isocyano-2-(3-phenylphenyl)benzene has a molecular weight of 255.32 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-2-(3-phenylphenyl)benzene is sourced from PubChem (CID 91252150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).