5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene

C52H32 — CID 59622740

IUPAC5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cc7ccc8ccccc8c7c7ccccc67)ccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C52H32/c1-2-13-35-30-39(26-21-33(35)11-1)51-45-17-7-9-19-47(45)52(48-20-10-8-18-46(48)51)40-28-24-36-29-38(25-23-37(36)31-40)49-32-41-27-22-34-12-3-4-14-42(34)50(41)44-16-6-5-15-43(44)49/h1-32H
InChIKeyCTDOQNGZLPRPEM-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.76
Rot. Bonds3

About 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene

5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene (PubChem CID 59622740) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
PubChem CID59622740
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cc7ccc8ccccc8c7c7ccccc67)ccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C52H32/c1-2-13-35-30-39(26-21-33(35)11-1)51-45-17-7-9-19-47(45)52(48-20-10-8-18-46(48)51)40-28-24-36-29-38(25-23-37(36)31-40)49-32-41-27-22-34-12-3-4-14-42(34)50(41)44-16-6-5-15-43(44)49/h1-32H
InChIKeyCTDOQNGZLPRPEM-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
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
5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
CID 59622690
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188657
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
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188704
8-naphthalen-2-yl-5-(2-phenylnaphthalen-1-yl)benzo[c]phenanthrene
CID 59282131
9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
CID 159812962

Frequently Asked Questions

What is the IUPAC name of 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene?
The IUPAC name of 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene (CID 59622740) is 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene?
The canonical SMILES for 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cc7ccc8ccccc8c7c7ccccc67)ccc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene?
The InChIKey is CTDOQNGZLPRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-2-13-35-30-39(26-21-33(35)11-1)51-45-17-7-9-19-47(45)52(48-20-10-8-18-46(48)51)40-28-24-36-29-38(25-23-37(36)31-40)49-32-41-27-22-34-12-3-4-14-42(34)50(41)44-16-6-5-15-43(44)49/h1-32H.
What are the key properties of 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene?
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene has a molecular weight of 656.83 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene is sourced from PubChem (CID 59622740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).