3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene

C26H17Cl — CID 169040011

IUPAC3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene
SMILESClc1cc(-c2ccccc2)c2cc(-c3cccc4ccccc34)ccc2c1
InChIInChI=1S/C26H17Cl/c27-22-15-20-13-14-21(24-12-6-10-18-9-4-5-11-23(18)24)16-25(20)26(17-22)19-7-2-1-3-8-19/h1-17H
InChIKeyPNCQVYOMBFTYGF-UHFFFAOYSA-N
MW364.88 g/mol
LogP7.98
Rot. Bonds2

About 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene

3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene (PubChem CID 169040011) has the molecular formula C26H17Cl and a molecular weight of 364.88 g/mol. Its IUPAC name is 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene.

Molecular Properties

Compound Name3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene
PubChem CID169040011
Molecular FormulaC26H17Cl
Molecular Weight364.88 g/mol
Exact Mass364.10
IUPAC Name3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene
SMILESClc1cc(-c2ccccc2)c2cc(-c3cccc4ccccc34)ccc2c1
InChIInChI=1S/C26H17Cl/c27-22-15-20-13-14-21(24-12-6-10-18-9-4-5-11-23(18)24)16-25(20)26(17-22)19-7-2-1-3-8-19/h1-17H
InChIKeyPNCQVYOMBFTYGF-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[6-[2-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 158259921

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene?
The IUPAC name of 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene (CID 169040011) is 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene.
What is the SMILES notation for 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene?
The canonical SMILES for 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene is Clc1cc(-c2ccccc2)c2cc(-c3cccc4ccccc34)ccc2c1.
What is the InChIKey of 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene?
The InChIKey is PNCQVYOMBFTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl/c27-22-15-20-13-14-21(24-12-6-10-18-9-4-5-11-23(18)24)16-25(20)26(17-22)19-7-2-1-3-8-19/h1-17H.
What are the key properties of 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene?
3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene has a molecular weight of 364.88 g/mol, XLogP of 7.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-naphthalen-1-yl-1-phenylnaphthalene is sourced from PubChem (CID 169040011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).