8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene

C35H24 — CID 59282122

IUPAC8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
SMILESCc1ccc(-c2cc3cc(-c4cccc5ccccc45)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C35H24/c1-23-17-19-25(20-18-23)33-21-26-22-34(28-16-8-10-24-9-2-3-11-27(24)28)30-13-5-7-15-32(30)35(26)31-14-6-4-12-29(31)33/h2-22H,1H3
InChIKeyKIUKSIJSHOWNGZ-UHFFFAOYSA-N
MW444.58 g/mol
LogP9.94
Rot. Bonds2

About 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene

8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene (PubChem CID 59282122) has the molecular formula C35H24 and a molecular weight of 444.58 g/mol. Its IUPAC name is 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene.

Molecular Properties

Compound Name8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
PubChem CID59282122
Molecular FormulaC35H24
Molecular Weight444.58 g/mol
Exact Mass444.19
IUPAC Name8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
SMILESCc1ccc(-c2cc3cc(-c4cccc5ccccc45)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C35H24/c1-23-17-19-25(20-18-23)33-21-26-22-34(28-16-8-10-24-9-2-3-11-27(24)28)30-13-5-7-15-32(30)35(26)31-14-6-4-12-29(31)33/h2-22H,1H3
InChIKeyKIUKSIJSHOWNGZ-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 59.94
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

8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282369
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene
CID 59638751
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene
CID 59282192
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
2-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-5-phenylbenzo[b]phosphindole
CID 59282470
1,6-bis(10-naphthalen-1-ylphenanthren-3-yl)-3,8-diphenylpyrene
CID 170778790

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene?
The IUPAC name of 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene (CID 59282122) is 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene.
What is the SMILES notation for 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene?
The canonical SMILES for 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene is Cc1ccc(-c2cc3cc(-c4cccc5ccccc45)c4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene?
The InChIKey is KIUKSIJSHOWNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24/c1-23-17-19-25(20-18-23)33-21-26-22-34(28-16-8-10-24-9-2-3-11-27(24)28)30-13-5-7-15-32(30)35(26)31-14-6-4-12-29(31)33/h2-22H,1H3.
What are the key properties of 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene?
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene has a molecular weight of 444.58 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene is sourced from PubChem (CID 59282122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).