9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene

C50H34 — CID 144568797

IUPAC9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H34/c1-3-13-35(14-4-1)37-23-25-39(26-24-37)40-29-33-42(34-30-40)49-45-19-9-11-21-47(45)50(48-22-12-10-20-46(48)49)44-18-8-7-17-43(44)41-31-27-38(28-32-41)36-15-5-2-6-16-36/h1-34H
InChIKeyVBCGBBGJGUEYHY-UHFFFAOYSA-N
MW634.82 g/mol
LogP13.99
Rot. Bonds6

About 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene

9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene (PubChem CID 144568797) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
PubChem CID144568797
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H34/c1-3-13-35(14-4-1)37-23-25-39(26-24-37)40-29-33-42(34-30-40)49-45-19-9-11-21-47(45)50(48-22-12-10-20-46(48)49)44-18-8-7-17-43(44)41-31-27-38(28-32-41)36-15-5-2-6-16-36/h1-34H
InChIKeyVBCGBBGJGUEYHY-UHFFFAOYSA-N
XLogP13.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 513.99
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

9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-(2-phenylphenyl)-20-(4-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 59642746
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene?
The IUPAC name of 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene (CID 144568797) is 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene?
The canonical SMILES for 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene is c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene?
The InChIKey is VBCGBBGJGUEYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-3-13-35(14-4-1)37-23-25-39(26-24-37)40-29-33-42(34-30-40)49-45-19-9-11-21-47(45)50(48-22-12-10-20-46(48)49)44-18-8-7-17-43(44)41-31-27-38(28-32-41)36-15-5-2-6-16-36/h1-34H.
What are the key properties of 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene?
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene has a molecular weight of 634.82 g/mol, XLogP of 13.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene is sourced from PubChem (CID 144568797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).