4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene

C40H26 — CID 59638751

IUPAC4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene
SMILESc1ccc2c(-c3ccc(-c4cc5ccccc5c5c(-c6cccc7ccccc67)cccc45)cc3)cccc2c1
InChIInChI=1S/C40H26/c1-4-15-32-27(10-1)13-7-18-33(32)29-22-24-30(25-23-29)39-26-31-12-3-6-17-35(31)40-37(20-9-21-38(39)40)36-19-8-14-28-11-2-5-16-34(28)36/h1-26H
InChIKeyWWJRILGFYSUQLR-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene

4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene (PubChem CID 59638751) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene.

Molecular Properties

Compound Name4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene
PubChem CID59638751
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene
SMILESc1ccc2c(-c3ccc(-c4cc5ccccc5c5c(-c6cccc7ccccc67)cccc45)cc3)cccc2c1
InChIInChI=1S/C40H26/c1-4-15-32-27(10-1)13-7-18-33(32)29-22-24-30(25-23-29)39-26-31-12-3-6-17-35(31)40-37(20-9-21-38(39)40)36-19-8-14-28-11-2-5-16-34(28)36/h1-26H
InChIKeyWWJRILGFYSUQLR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
6-naphthalen-1-ylbenzo[c]phenanthrene
CID 123608674
1,6-bis(10-naphthalen-1-ylphenanthren-3-yl)-3,8-diphenylpyrene
CID 170778790
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777
4-naphthalen-1-yl-1,7-bis(10-phenylanthracen-9-yl)phenanthrene
CID 142721790
5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59524163
6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282122
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
N-(4-naphthalen-1-ylphenyl)-4-(2-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 163547627
1-naphthalen-1-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-naphthalen-2-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 160835629

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene?
The IUPAC name of 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene (CID 59638751) is 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene.
What is the SMILES notation for 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene?
The canonical SMILES for 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene is c1ccc2c(-c3ccc(-c4cc5ccccc5c5c(-c6cccc7ccccc67)cccc45)cc3)cccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene?
The InChIKey is WWJRILGFYSUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-4-15-32-27(10-1)13-7-18-33(32)29-22-24-30(25-23-29)39-26-31-12-3-6-17-35(31)40-37(20-9-21-38(39)40)36-19-8-14-28-11-2-5-16-34(28)36/h1-26H.
What are the key properties of 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene?
4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene 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 4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene is sourced from PubChem (CID 59638751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).