3-benzhydrylnaphthalene-1-carbonitrile

C24H17N — CID 10448641

IUPAC3-benzhydrylnaphthalene-1-carbonitrile
SMILESN#Cc1cc(C(c2ccccc2)c2ccccc2)cc2ccccc12
InChIInChI=1S/C24H17N/c25-17-22-16-21(15-20-13-7-8-14-23(20)22)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,24H
InChIKeyDLNFBSLGZWIOIE-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.89
Rot. Bonds3

About 3-benzhydrylnaphthalene-1-carbonitrile

3-benzhydrylnaphthalene-1-carbonitrile (PubChem CID 10448641) has the molecular formula C24H17N and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-benzhydrylnaphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-benzhydrylnaphthalene-1-carbonitrile
PubChem CID10448641
Molecular FormulaC24H17N
Molecular Weight319.41 g/mol
Exact Mass319.14
IUPAC Name3-benzhydrylnaphthalene-1-carbonitrile
SMILESN#Cc1cc(C(c2ccccc2)c2ccccc2)cc2ccccc12
InChIInChI=1S/C24H17N/c25-17-22-16-21(15-20-13-7-8-14-23(20)22)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,24H
InChIKeyDLNFBSLGZWIOIE-UHFFFAOYSA-N
XLogP5.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

naphthalene-1-carbonitrile;sulfane
CID 175607355
naphthalene-2,3-dicarbonitrile
CID 601270
hexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene-14,15-dicarbonitrile
CID 139436117
anthracene-1-carbonitrile
CID 3036603
phenanthrene-1,10-dicarbonitrile
CID 170458510
azane;benzhydrylbenzene
CID 70581647
lithium benzhydrylbenzene
CID 18381038
3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile
CID 10422595
3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile
CID 169300994
2-anilinoquinoline-4-carbonitrile
CID 63884486
3-(2-aminoethylsulfanyl)-4-methylnaphthalene-2-carbonitrile
CID 20752767
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21(30),22,24,26,28-pentadecaene-16-carbonitrile
CID 102099148

Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylnaphthalene-1-carbonitrile?
The IUPAC name of 3-benzhydrylnaphthalene-1-carbonitrile (CID 10448641) is 3-benzhydrylnaphthalene-1-carbonitrile.
What is the SMILES notation for 3-benzhydrylnaphthalene-1-carbonitrile?
The canonical SMILES for 3-benzhydrylnaphthalene-1-carbonitrile is N#Cc1cc(C(c2ccccc2)c2ccccc2)cc2ccccc12.
What is the InChIKey of 3-benzhydrylnaphthalene-1-carbonitrile?
The InChIKey is DLNFBSLGZWIOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N/c25-17-22-16-21(15-20-13-7-8-14-23(20)22)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,24H.
What are the key properties of 3-benzhydrylnaphthalene-1-carbonitrile?
3-benzhydrylnaphthalene-1-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylnaphthalene-1-carbonitrile is sourced from PubChem (CID 10448641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).