5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene

C46H28 — CID 123689290

IUPAC5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
SMILESc1ccc2c(c1)ccc1cc(-c3ccc4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4c3)c3ccccc3c12
InChIInChI=1S/C46H28/c1-3-11-37-30(9-1)19-23-34-27-43(39-13-5-7-15-41(39)45(34)37)32-21-17-29-18-22-33(26-36(29)25-32)44-28-35-24-20-31-10-2-4-12-38(31)46(35)42-16-8-6-14-40(42)44/h1-28H
InChIKeyJMHYKORWRUXAJT-UHFFFAOYSA-N
MW580.73 g/mol
LogP13.09
Rot. Bonds2

About 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene

5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene (PubChem CID 123689290) has the molecular formula C46H28 and a molecular weight of 580.73 g/mol. Its IUPAC name is 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene.

Molecular Properties

Compound Name5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
PubChem CID123689290
Molecular FormulaC46H28
Molecular Weight580.73 g/mol
Exact Mass580.22
IUPAC Name5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
SMILESc1ccc2c(c1)ccc1cc(-c3ccc4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4c3)c3ccccc3c12
InChIInChI=1S/C46H28/c1-3-11-37-30(9-1)19-23-34-27-43(39-13-5-7-15-41(39)45(34)37)32-21-17-29-18-22-33(26-36(29)25-32)44-28-35-24-20-31-10-2-4-12-38(31)46(35)42-16-8-6-14-40(42)44/h1-28H
InChIKeyJMHYKORWRUXAJT-UHFFFAOYSA-N
XLogP13.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran
CID 58569636
4-(7-benzo[e]pyren-4-ylnaphthalen-2-yl)benzo[e]pyrene
CID 59805106
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58544615
4-(7-pyren-4-ylnaphthalen-2-yl)pyrene
CID 59805090
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777
5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
CID 59622690
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 160704726

Frequently Asked Questions

What is the IUPAC name of 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene?
The IUPAC name of 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene (CID 123689290) is 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene.
What is the SMILES notation for 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene?
The canonical SMILES for 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene is c1ccc2c(c1)ccc1cc(-c3ccc4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4c3)c3ccccc3c12.
What is the InChIKey of 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene?
The InChIKey is JMHYKORWRUXAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28/c1-3-11-37-30(9-1)19-23-34-27-43(39-13-5-7-15-41(39)45(34)37)32-21-17-29-18-22-33(26-36(29)25-32)44-28-35-24-20-31-10-2-4-12-38(31)46(35)42-16-8-6-14-40(42)44/h1-28H.
What are the key properties of 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene?
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene has a molecular weight of 580.73 g/mol, XLogP of 13.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene is sourced from PubChem (CID 123689290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).