9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene

C50H32 — CID 91535853

IUPAC9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene
SMILESc1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5ccccc45)cc3cc2-c2ccccc2)cc1
InChIInChI=1S/C50H32/c1-3-13-33(14-4-1)47-31-36-24-26-38(30-40(36)32-48(47)34-15-5-2-6-16-34)49-43-19-9-11-21-45(43)50(46-22-12-10-20-44(46)49)39-27-28-42-37(29-39)25-23-35-17-7-8-18-41(35)42/h1-32H
InChIKeyQPACPULTBGNKTC-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene

9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene (PubChem CID 91535853) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene.

Molecular Properties

Compound Name9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene
PubChem CID91535853
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene
SMILESc1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5ccccc45)cc3cc2-c2ccccc2)cc1
InChIInChI=1S/C50H32/c1-3-13-33(14-4-1)47-31-36-24-26-38(30-40(36)32-48(47)34-15-5-2-6-16-34)49-43-19-9-11-21-45(43)50(46-22-12-10-20-44(46)49)39-27-28-42-37(29-39)25-23-35-17-7-8-18-41(35)42/h1-32H
InChIKeyQPACPULTBGNKTC-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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

9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
CID 123644729
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
9-phenyl-10-[7-phenyl-6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590145
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123334632

Frequently Asked Questions

What is the IUPAC name of 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene?
The IUPAC name of 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene (CID 91535853) is 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene.
What is the SMILES notation for 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene?
The canonical SMILES for 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene is c1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5ccccc45)cc3cc2-c2ccccc2)cc1.
What is the InChIKey of 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene?
The InChIKey is QPACPULTBGNKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-13-33(14-4-1)47-31-36-24-26-38(30-40(36)32-48(47)34-15-5-2-6-16-34)49-43-19-9-11-21-45(43)50(46-22-12-10-20-44(46)49)39-27-28-42-37(29-39)25-23-35-17-7-8-18-41(35)42/h1-32H.
What are the key properties of 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene?
9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene is sourced from PubChem (CID 91535853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).