9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene

C50H32 — CID 58194550

IUPAC9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc(-c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccc8ccccc8c67)c6ccccc56)ccc4c3)cc2)cc1
InChIInChI=1S/C50H32/c1-2-11-33(12-3-1)34-21-23-35(24-22-34)38-27-28-40-32-41(30-29-39(40)31-38)49-43-16-6-8-18-45(43)50(46-19-9-7-17-44(46)49)47-20-10-14-37-26-25-36-13-4-5-15-42(36)48(37)47/h1-32H
InChIKeyCXYVGSVCPWMHBR-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene

9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene (PubChem CID 58194550) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
PubChem CID58194550
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc(-c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccc8ccccc8c67)c6ccccc56)ccc4c3)cc2)cc1
InChIInChI=1S/C50H32/c1-2-11-33(12-3-1)34-21-23-35(24-22-34)38-27-28-40-32-41(30-29-39(40)31-38)49-43-16-6-8-18-45(43)50(46-19-9-7-17-44(46)49)47-20-10-14-37-26-25-36-13-4-5-15-42(36)48(37)47/h1-32H
InChIKeyCXYVGSVCPWMHBR-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-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene
CID 58194402
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965810

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene (CID 58194550) is 9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene is c1ccc(-c2ccc(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccc8ccccc8c67)c6ccccc56)ccc4c3)cc2)cc1.
What is the InChIKey of 9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is CXYVGSVCPWMHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-11-33(12-3-1)34-21-23-35(24-22-34)38-27-28-40-32-41(30-29-39(40)31-38)49-43-16-6-8-18-45(43)50(46-19-9-7-17-44(46)49)47-20-10-14-37-26-25-36-13-4-5-15-42(36)48(37)47/h1-32H.
What are the key properties of 9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene?
9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene 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-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 58194550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).