2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene

C35H24O — CID 132570090

IUPAC2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene
SMILESC1=C(c2cccc3ccccc23)C(c2ccccc2)(c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C35H24O/c1-3-15-27(16-4-1)35(28-17-5-2-6-18-28)33(31-21-11-14-25-12-7-9-19-29(25)31)24-32-30-20-10-8-13-26(30)22-23-34(32)36-35/h1-24H
InChIKeyFIFYSLHPZQIQIE-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.87
Rot. Bonds3

About 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene

2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene (PubChem CID 132570090) has the molecular formula C35H24O and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene.

Molecular Properties

Compound Name2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene
PubChem CID132570090
Molecular FormulaC35H24O
Molecular Weight460.58 g/mol
Exact Mass460.18
IUPAC Name2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene
SMILESC1=C(c2cccc3ccccc23)C(c2ccccc2)(c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C35H24O/c1-3-15-27(16-4-1)35(28-17-5-2-6-18-28)33(31-21-11-14-25-12-7-9-19-29(25)31)24-32-30-20-10-8-13-26(30)22-23-34(32)36-35/h1-24H
InChIKeyFIFYSLHPZQIQIE-UHFFFAOYSA-N
XLogP8.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3,3-diphenylbenzo[f]chromene
CID 69344279
3-methyl-3-phenylbenzo[f]chromene
CID 10849806
1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene
CID 14982726
spiro[12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene-13,9'-fluorene]
CID 16719393
CID 10527161
CID 10527161
(7aR)-7a-hydroxy-9,9-dimethyl-8,10-dihydrobenzo[a]xanthen-11-one
CID 139200671
3'-phenylspiro[benzo[f]chromene-3,2'-chromene]
CID 19084037
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene?
The IUPAC name of 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene (CID 132570090) is 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene.
What is the SMILES notation for 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene?
The canonical SMILES for 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene is C1=C(c2cccc3ccccc23)C(c2ccccc2)(c2ccccc2)Oc2ccc3ccccc3c21.
What is the InChIKey of 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene?
The InChIKey is FIFYSLHPZQIQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24O/c1-3-15-27(16-4-1)35(28-17-5-2-6-18-28)33(31-21-11-14-25-12-7-9-19-29(25)31)24-32-30-20-10-8-13-26(30)22-23-34(32)36-35/h1-24H.
What are the key properties of 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene?
2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene has a molecular weight of 460.58 g/mol, XLogP of 8.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-3,3-diphenylbenzo[f]chromene is sourced from PubChem (CID 132570090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).