2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene

C56H34 — CID 58511683

IUPAC2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
SMILESc1ccc2cc(-c3ccc4c(c3)c(-c3ccc5c(ccc6ccccc65)c3)cc3c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)cc43)ccc2c1
InChIInChI=1S/C56H34/c1-2-12-38-29-39(20-17-35(38)9-1)40-23-28-51-54(32-40)53(44-25-27-48-42(31-44)22-19-37-11-4-6-14-46(37)48)34-55-50-16-8-7-15-49(50)52(33-56(51)55)43-24-26-47-41(30-43)21-18-36-10-3-5-13-45(36)47/h1-34H
InChIKeyKEWFPSQNIBEJTG-UHFFFAOYSA-N
MW706.89 g/mol
LogP15.91
Rot. Bonds3

About 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene

2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene (PubChem CID 58511683) has the molecular formula C56H34 and a molecular weight of 706.89 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene.

Molecular Properties

Compound Name2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
PubChem CID58511683
Molecular FormulaC56H34
Molecular Weight706.89 g/mol
Exact Mass706.27
IUPAC Name2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
SMILESc1ccc2cc(-c3ccc4c(c3)c(-c3ccc5c(ccc6ccccc65)c3)cc3c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)cc43)ccc2c1
InChIInChI=1S/C56H34/c1-2-12-38-29-39(20-17-35(38)9-1)40-23-28-51-54(32-40)53(44-25-27-48-42(31-44)22-19-37-11-4-6-14-46(37)48)34-55-50-16-8-7-15-49(50)52(33-56(51)55)43-24-26-47-41(30-43)21-18-36-10-3-5-13-45(36)47/h1-34H
InChIKeyKEWFPSQNIBEJTG-UHFFFAOYSA-N
XLogP15.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 515.91
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

2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
10,21-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629389
2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene
CID 59629127
2-naphthalen-2-ylphenanthrene
CID 90738367
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene?
The IUPAC name of 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene (CID 58511683) is 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene.
What is the SMILES notation for 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene?
The canonical SMILES for 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene is c1ccc2cc(-c3ccc4c(c3)c(-c3ccc5c(ccc6ccccc65)c3)cc3c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)cc43)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene?
The InChIKey is KEWFPSQNIBEJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34/c1-2-12-38-29-39(20-17-35(38)9-1)40-23-28-51-54(32-40)53(44-25-27-48-42(31-44)22-19-37-11-4-6-14-46(37)48)34-55-50-16-8-7-15-49(50)52(33-56(51)55)43-24-26-47-41(30-43)21-18-36-10-3-5-13-45(36)47/h1-34H.
What are the key properties of 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene?
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene has a molecular weight of 706.89 g/mol, XLogP of 15.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene is sourced from PubChem (CID 58511683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).