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

C50H34 — CID 59090311

IUPAC9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C50H34/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)41-19-7-9-21-43(41)49-45-23-11-13-25-47(45)50(48-26-14-12-24-46(48)49)44-22-10-8-20-42(44)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34H
InChIKeyPGAISRRZIIQBBE-UHFFFAOYSA-N
MW634.82 g/mol
LogP13.99
Rot. Bonds6

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

9,10-bis[2-(4-phenylphenyl)phenyl]anthracene (PubChem CID 59090311) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 9,10-bis[2-(4-phenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
PubChem CID59090311
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C50H34/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)41-19-7-9-21-43(41)49-45-23-11-13-25-47(45)50(48-26-14-12-24-46(48)49)44-22-10-8-20-42(44)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34H
InChIKeyPGAISRRZIIQBBE-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-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
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)-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
2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 153302047
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[2-(4-phenylphenyl)phenyl]anthracene?
The IUPAC name of 9,10-bis[2-(4-phenylphenyl)phenyl]anthracene (CID 59090311) is 9,10-bis[2-(4-phenylphenyl)phenyl]anthracene.
What is the SMILES notation for 9,10-bis[2-(4-phenylphenyl)phenyl]anthracene?
The canonical SMILES for 9,10-bis[2-(4-phenylphenyl)phenyl]anthracene is c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9,10-bis[2-(4-phenylphenyl)phenyl]anthracene?
The InChIKey is PGAISRRZIIQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)41-19-7-9-21-43(41)49-45-23-11-13-25-47(45)50(48-26-14-12-24-46(48)49)44-22-10-8-20-42(44)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34H.
What are the key properties of 9,10-bis[2-(4-phenylphenyl)phenyl]anthracene?
9,10-bis[2-(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 9,10-bis[2-(4-phenylphenyl)phenyl]anthracene is sourced from PubChem (CID 59090311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).