9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene

C60H38 — CID 59629319

IUPAC9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)cc(-c3cc5ccccc5c5ccccc35)c3cc(-c5ccc(-c6ccccc6)c6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C60H38/c1-3-15-39(16-4-1)46-31-33-48(54-24-11-9-22-52(46)54)42-27-29-50-44(35-42)38-60(58-36-41-19-7-8-20-45(41)51-21-13-14-26-56(51)58)59-37-43(28-30-57(50)59)49-34-32-47(40-17-5-2-6-18-40)53-23-10-12-25-55(49)53/h1-38H
InChIKeyWPAKUJDMOCUFHT-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.94
Rot. Bonds5

About 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene

9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene (PubChem CID 59629319) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene.

Molecular Properties

Compound Name9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene
PubChem CID59629319
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)cc(-c3cc5ccccc5c5ccccc35)c3cc(-c5ccc(-c6ccccc6)c6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C60H38/c1-3-15-39(16-4-1)46-31-33-48(54-24-11-9-22-52(46)54)42-27-29-50-44(35-42)38-60(58-36-41-19-7-8-20-45(41)51-21-13-14-26-56(51)58)59-37-43(28-30-57(50)59)49-34-32-47(40-17-5-2-6-18-40)53-23-10-12-25-55(49)53/h1-38H
InChIKeyWPAKUJDMOCUFHT-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 516.94
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
2,7-dinaphthalen-2-yl-9-phenanthren-9-ylphenanthrene
CID 59629127
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 59391009
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620
2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638827
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
7-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638660
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene?
The IUPAC name of 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene (CID 59629319) is 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene.
What is the SMILES notation for 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene?
The canonical SMILES for 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene is c1ccc(-c2ccc(-c3ccc4c(c3)cc(-c3cc5ccccc5c5ccccc35)c3cc(-c5ccc(-c6ccccc6)c6ccccc56)ccc34)c3ccccc23)cc1.
What is the InChIKey of 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene?
The InChIKey is WPAKUJDMOCUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-3-15-39(16-4-1)46-31-33-48(54-24-11-9-22-52(46)54)42-27-29-50-44(35-42)38-60(58-36-41-19-7-8-20-45(41)51-21-13-14-26-56(51)58)59-37-43(28-30-57(50)59)49-34-32-47(40-17-5-2-6-18-40)53-23-10-12-25-55(49)53/h1-38H.
What are the key properties of 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene?
9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene has a molecular weight of 758.96 g/mol, XLogP of 16.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene is sourced from PubChem (CID 59629319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).