2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene

C36H24 — CID 59638748

IUPAC2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
SMILESc1ccc(-c2ccc(-c3ccc4c(ccc5cc(-c6cccc7ccccc67)ccc54)c3)cc2)cc1
InChIInChI=1S/C36H24/c1-2-7-25(8-3-1)26-13-15-27(16-14-26)29-19-21-35-30(23-29)17-18-31-24-32(20-22-36(31)35)34-12-6-10-28-9-4-5-11-33(28)34/h1-24H
InChIKeyDXEHMHOJVUHWNO-UHFFFAOYSA-N
MW456.59 g/mol
LogP10.15
Rot. Bonds3

About 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene

2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene (PubChem CID 59638748) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene.

Molecular Properties

Compound Name2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
PubChem CID59638748
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
SMILESc1ccc(-c2ccc(-c3ccc4c(ccc5cc(-c6cccc7ccccc67)ccc54)c3)cc2)cc1
InChIInChI=1S/C36H24/c1-2-7-25(8-3-1)26-13-15-27(16-14-26)29-19-21-35-30(23-29)17-18-31-24-32(20-22-36(31)35)34-12-6-10-28-9-4-5-11-33(28)34/h1-24H
InChIKeyDXEHMHOJVUHWNO-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 510.15
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

N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene?
The IUPAC name of 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene (CID 59638748) is 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene.
What is the SMILES notation for 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene?
The canonical SMILES for 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene is c1ccc(-c2ccc(-c3ccc4c(ccc5cc(-c6cccc7ccccc67)ccc54)c3)cc2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene?
The InChIKey is DXEHMHOJVUHWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-2-7-25(8-3-1)26-13-15-27(16-14-26)29-19-21-35-30(23-29)17-18-31-24-32(20-22-36(31)35)34-12-6-10-28-9-4-5-11-33(28)34/h1-24H.
What are the key properties of 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene?
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene has a molecular weight of 456.59 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene is sourced from PubChem (CID 59638748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).