2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran

C28H17ClO — CID 171585736

IUPAC2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran
SMILESClc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C28H17ClO/c29-24-15-22(20-10-9-18-5-1-2-6-19(18)13-20)14-23(16-24)21-11-12-28-26(17-21)25-7-3-4-8-27(25)30-28/h1-17H
InChIKeyBFSSYKDGNQYRKK-UHFFFAOYSA-N
MW404.90 g/mol
LogP8.73
Rot. Bonds2

About 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran

2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran (PubChem CID 171585736) has the molecular formula C28H17ClO and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran
PubChem CID171585736
Molecular FormulaC28H17ClO
Molecular Weight404.90 g/mol
Exact Mass404.10
IUPAC Name2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran
SMILESClc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C28H17ClO/c29-24-15-22(20-10-9-18-5-1-2-6-19(18)13-20)14-23(16-24)21-11-12-28-26(17-21)25-7-3-4-8-27(25)30-28/h1-17H
InChIKeyBFSSYKDGNQYRKK-UHFFFAOYSA-N
XLogP8.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
2-dibenzofuran-2-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 138729836
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
2-dibenzofuran-2-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 177119552
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
3-naphthalen-2-yldibenzofuran
CID 68932481
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 167406624
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568836
7-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568845

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran?
The IUPAC name of 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran (CID 171585736) is 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran.
What is the SMILES notation for 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran?
The canonical SMILES for 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran is Clc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran?
The InChIKey is BFSSYKDGNQYRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClO/c29-24-15-22(20-10-9-18-5-1-2-6-19(18)13-20)14-23(16-24)21-11-12-28-26(17-21)25-7-3-4-8-27(25)30-28/h1-17H.
What are the key properties of 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran?
2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran has a molecular weight of 404.90 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran is sourced from PubChem (CID 171585736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).