9-(3-anthracen-9-ylphenyl)-10-phenylanthracene

C40H26 — CID 58321138

IUPAC9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5cc5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C40H26/c1-2-13-27(14-3-1)38-34-21-8-10-23-36(34)40(37-24-11-9-22-35(37)38)31-18-12-17-30(26-31)39-32-19-6-4-15-28(32)25-29-16-5-7-20-33(29)39/h1-26H
InChIKeyKZDXAUQTOKYBFD-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 9-(3-anthracen-9-ylphenyl)-10-phenylanthracene

9-(3-anthracen-9-ylphenyl)-10-phenylanthracene (PubChem CID 58321138) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 9-(3-anthracen-9-ylphenyl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
PubChem CID58321138
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5cc5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C40H26/c1-2-13-27(14-3-1)38-34-21-8-10-23-36(34)40(37-24-11-9-22-35(37)38)31-18-12-17-30(26-31)39-32-19-6-4-15-28(32)25-29-16-5-7-20-33(29)39/h1-26H
InChIKeyKZDXAUQTOKYBFD-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'}

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Related Compounds

9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
1-iodo-10-phenylanthracene
CID 141156342
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316

Frequently Asked Questions

What is the IUPAC name of 9-(3-anthracen-9-ylphenyl)-10-phenylanthracene?
The IUPAC name of 9-(3-anthracen-9-ylphenyl)-10-phenylanthracene (CID 58321138) is 9-(3-anthracen-9-ylphenyl)-10-phenylanthracene.
What is the SMILES notation for 9-(3-anthracen-9-ylphenyl)-10-phenylanthracene?
The canonical SMILES for 9-(3-anthracen-9-ylphenyl)-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5cc5ccccc45)c3)c3ccccc23)cc1.
What is the InChIKey of 9-(3-anthracen-9-ylphenyl)-10-phenylanthracene?
The InChIKey is KZDXAUQTOKYBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-13-27(14-3-1)38-34-21-8-10-23-36(34)40(37-24-11-9-22-35(37)38)31-18-12-17-30(26-31)39-32-19-6-4-15-28(32)25-29-16-5-7-20-33(29)39/h1-26H.
What are the key properties of 9-(3-anthracen-9-ylphenyl)-10-phenylanthracene?
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene 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-(3-anthracen-9-ylphenyl)-10-phenylanthracene is sourced from PubChem (CID 58321138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).