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

C50H32 — CID 58322690

IUPAC10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c3c2)cc1
InChIInChI=1S/C50H32/c1-2-14-33(15-3-1)36-28-29-46-48(31-36)50(45-25-13-12-24-44(45)49(46)38-27-26-34-16-4-5-17-35(34)30-38)43-23-11-10-22-42(43)47-32-37-18-6-7-19-39(37)40-20-8-9-21-41(40)47/h1-32H
InChIKeyUEVDKGPRLQYUCG-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

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

10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene (PubChem CID 58322690) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene.

Molecular Properties

Compound Name10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
PubChem CID58322690
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c3c2)cc1
InChIInChI=1S/C50H32/c1-2-14-33(15-3-1)36-28-29-46-48(31-36)50(45-25-13-12-24-44(45)49(46)38-27-26-34-16-4-5-17-35(34)30-38)43-23-11-10-22-42(43)47-32-37-18-6-7-19-39(37)40-20-8-9-21-41(40)47/h1-32H
InChIKeyUEVDKGPRLQYUCG-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-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
CID 58323397
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
CID 58323367
2-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)triphenylene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-phenylphenyl)anthracene
CID 159987289
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
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
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-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-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene?
The IUPAC name of 10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene (CID 58322690) is 10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene.
What is the SMILES notation for 10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene?
The canonical SMILES for 10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene is c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c3c2)cc1.
What is the InChIKey of 10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene?
The InChIKey is UEVDKGPRLQYUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-14-33(15-3-1)36-28-29-46-48(31-36)50(45-25-13-12-24-44(45)49(46)38-27-26-34-16-4-5-17-35(34)30-38)43-23-11-10-22-42(43)47-32-37-18-6-7-19-39(37)40-20-8-9-21-41(40)47/h1-32H.
What are the key properties of 10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene?
10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-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 10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene is sourced from PubChem (CID 58322690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).