1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene

C40H26 — CID 59169251

IUPAC1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
SMILESc1ccc2c(-c3cccc4c(-c5ccc(-c6cccc7ccccc67)c6ccccc56)cccc34)cccc2c1
InChIInChI=1S/C40H26/c1-3-15-29-27(11-1)13-7-19-31(29)35-21-9-23-37-36(35)22-10-24-38(37)40-26-25-39(33-17-5-6-18-34(33)40)32-20-8-14-28-12-2-4-16-30(28)32/h1-26H
InChIKeyNGHPCXLICIWEBY-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene

1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene (PubChem CID 59169251) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
PubChem CID59169251
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
SMILESc1ccc2c(-c3cccc4c(-c5ccc(-c6cccc7ccccc67)c6ccccc56)cccc34)cccc2c1
InChIInChI=1S/C40H26/c1-3-15-29-27(11-1)13-7-19-31(29)35-21-9-23-37-36(35)22-10-24-38(37)40-26-25-39(33-17-5-6-18-34(33)40)32-20-8-14-28-12-2-4-16-30(28)32/h1-26H
InChIKeyNGHPCXLICIWEBY-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
9-naphthalen-1-ylphenanthrene
CID 20606742
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene?
The IUPAC name of 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene (CID 59169251) is 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene is c1ccc2c(-c3cccc4c(-c5ccc(-c6cccc7ccccc67)c6ccccc56)cccc34)cccc2c1.
What is the InChIKey of 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene?
The InChIKey is NGHPCXLICIWEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-3-15-29-27(11-1)13-7-19-31(29)35-21-9-23-37-36(35)22-10-24-38(37)40-26-25-39(33-17-5-6-18-34(33)40)32-20-8-14-28-12-2-4-16-30(28)32/h1-26H.
What are the key properties of 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene?
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 59169251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).