9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene

C50H32 — CID 58323397

IUPAC9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C50H32/c1-2-14-33(15-3-1)36-28-29-46-48(31-36)49(43-23-11-8-20-40(43)38-27-26-34-16-4-5-17-35(34)30-38)44-24-12-13-25-45(44)50(46)47-32-37-18-6-7-19-39(37)41-21-9-10-22-42(41)47/h1-32H
InChIKeyYMTFPOQLXRSQMW-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene

9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene (PubChem CID 58323397) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene.

Molecular Properties

Compound Name9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
PubChem CID58323397
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C50H32/c1-2-14-33(15-3-1)36-28-29-46-48(31-36)49(43-23-11-8-20-40(43)38-27-26-34-16-4-5-17-35(34)30-38)44-24-12-13-25-45(44)50(46)47-32-37-18-6-7-19-39(37)41-21-9-10-22-42(41)47/h1-32H
InChIKeyYMTFPOQLXRSQMW-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

2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
CID 58323367
10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322690
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene
CID 158312736
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322853
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-9-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159797606
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
2,9-dinaphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-(3,5-diphenylphenyl)-2-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-phenanthren-9-yl-10-phenylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-phenylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 167600702
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195

Frequently Asked Questions

What is the IUPAC name of 9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene?
The IUPAC name of 9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene (CID 58323397) is 9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene.
What is the SMILES notation for 9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene?
The canonical SMILES for 9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene is c1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene?
The InChIKey is YMTFPOQLXRSQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-14-33(15-3-1)36-28-29-46-48(31-36)49(43-23-11-8-20-40(43)38-27-26-34-16-4-5-17-35(34)30-38)44-24-12-13-25-45(44)50(46)47-32-37-18-6-7-19-39(37)41-21-9-10-22-42(41)47/h1-32H.
What are the key properties of 9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene?
9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene 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-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene is sourced from PubChem (CID 58323397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).