2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene

C48H30 — CID 59629127

IUPAC2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene
SMILESc1ccc2cc(-c3ccc4c(c3)cc(-c3cc5ccccc5c5ccccc35)c3cc(-c5ccc6ccccc6c5)ccc34)ccc2c1
InChIInChI=1S/C48H30/c1-3-11-33-25-35(19-17-31(33)9-1)37-21-23-42-40(27-37)30-48(47-29-39-13-5-6-14-41(39)43-15-7-8-16-44(43)47)46-28-38(22-24-45(42)46)36-20-18-32-10-2-4-12-34(32)26-36/h1-30H
InChIKeyNORNOTWTITVRJV-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene

2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene (PubChem CID 59629127) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene.

Molecular Properties

Compound Name2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene
PubChem CID59629127
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene
SMILESc1ccc2cc(-c3ccc4c(c3)cc(-c3cc5ccccc5c5ccccc35)c3cc(-c5ccc6ccccc6c5)ccc34)ccc2c1
InChIInChI=1S/C48H30/c1-3-11-33-25-35(19-17-31(33)9-1)37-21-23-42-40(27-37)30-48(47-29-39-13-5-6-14-41(39)43-15-7-8-16-44(43)47)46-28-38(22-24-45(42)46)36-20-18-32-10-2-4-12-34(32)26-36/h1-30H
InChIKeyNORNOTWTITVRJV-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.61
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

7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638827
7-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638660
2-naphthalen-2-ylphenanthrene
CID 90738367
9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene
CID 59629319
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
2,7,9,10-tetranaphthalen-2-ylphenanthrene
CID 21136771
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688

Frequently Asked Questions

What is the IUPAC name of 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene?
The IUPAC name of 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene (CID 59629127) is 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene.
What is the SMILES notation for 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene?
The canonical SMILES for 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene is c1ccc2cc(-c3ccc4c(c3)cc(-c3cc5ccccc5c5ccccc35)c3cc(-c5ccc6ccccc6c5)ccc34)ccc2c1.
What is the InChIKey of 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene?
The InChIKey is NORNOTWTITVRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-11-33-25-35(19-17-31(33)9-1)37-21-23-42-40(27-37)30-48(47-29-39-13-5-6-14-41(39)43-15-7-8-16-44(43)47)46-28-38(22-24-45(42)46)36-20-18-32-10-2-4-12-34(32)26-36/h1-30H.
What are the key properties of 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene?
2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene has a molecular weight of 606.77 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene is sourced from PubChem (CID 59629127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).