8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene

C44H28 — CID 59282131

IUPAC8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene
SMILESc1ccc(-c2ccc3ccccc3c2-c2cc3cc(-c4ccc5ccccc5c4)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-13-30(14-3-1)36-25-24-31-15-6-7-17-35(31)44(36)42-28-34-27-41(33-23-22-29-12-4-5-16-32(29)26-33)37-18-8-10-20-39(37)43(34)40-21-11-9-19-38(40)42/h1-28H
InChIKeyPMKMQMLKAGZCJV-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene

8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene (PubChem CID 59282131) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene.

Molecular Properties

Compound Name8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene
PubChem CID59282131
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene
SMILESc1ccc(-c2ccc3ccccc3c2-c2cc3cc(-c4ccc5ccccc5c4)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-13-30(14-3-1)36-25-24-31-15-6-7-17-35(31)44(36)42-28-34-27-41(33-23-22-29-12-4-5-16-32(29)26-33)37-18-8-10-20-39(37)43(34)40-21-11-9-19-38(40)42/h1-28H
InChIKeyPMKMQMLKAGZCJV-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
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

5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]phenanthrene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;5-[3-(10-phenylanthracen-9-yl)phenyl]benzo[c]phenanthrene;5-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[c]phenanthrene;5-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]phenanthrene;5-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 163505407
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 159768381
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
20-(3-naphthalen-2-ylphenyl)-17-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 166019815

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene?
The IUPAC name of 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene (CID 59282131) is 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene.
What is the SMILES notation for 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene?
The canonical SMILES for 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene is c1ccc(-c2ccc3ccccc3c2-c2cc3cc(-c4ccc5ccccc5c4)c4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene?
The InChIKey is PMKMQMLKAGZCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-13-30(14-3-1)36-25-24-31-15-6-7-17-35(31)44(36)42-28-34-27-41(33-23-22-29-12-4-5-16-32(29)26-33)37-18-8-10-20-39(37)43(34)40-21-11-9-19-38(40)42/h1-28H.
What are the key properties of 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene?
8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene is sourced from PubChem (CID 59282131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).