9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene

C40H26 — CID 58050569

IUPAC9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C40H26/c1-2-14-27(15-3-1)29-17-6-9-21-33(29)39-34-22-10-12-24-36(34)40(37-25-13-11-23-35(37)39)38-26-28-16-4-5-18-30(28)31-19-7-8-20-32(31)38/h1-26H
InChIKeySCTTXCZHDVHHSE-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene

9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene (PubChem CID 58050569) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
PubChem CID58050569
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C40H26/c1-2-14-27(15-3-1)29-17-6-9-21-33(29)39-34-22-10-12-24-36(34)40(37-25-13-11-23-35(37)39)38-26-28-16-4-5-18-30(28)31-19-7-8-20-32(31)38/h1-26H
InChIKeySCTTXCZHDVHHSE-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
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-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
CID 58323367
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
CID 58323397
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene?
The IUPAC name of 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene (CID 58050569) is 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene.
What is the SMILES notation for 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene?
The canonical SMILES for 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene?
The InChIKey is SCTTXCZHDVHHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-14-27(15-3-1)29-17-6-9-21-33(29)39-34-22-10-12-24-36(34)40(37-25-13-11-23-35(37)39)38-26-28-16-4-5-18-30(28)31-19-7-8-20-32(31)38/h1-26H.
What are the key properties of 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene?
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene is sourced from PubChem (CID 58050569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).