1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene

C54H34 — CID 59859301

IUPAC1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)cc2)cc1
InChIInChI=1S/C54H34/c1-3-10-35(11-4-1)37-18-22-41(23-19-37)52-46-16-7-8-17-47(46)53(42-24-20-38(21-25-42)36-12-5-2-6-13-36)50-34-44(30-33-49(50)52)45-31-28-43-27-26-39-14-9-15-40-29-32-48(45)54(43)51(39)40/h1-34H
InChIKeyAFYLAOUQWIMASV-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.23
Rot. Bonds5

About 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene

1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene (PubChem CID 59859301) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene.

Molecular Properties

Compound Name1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
PubChem CID59859301
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)cc2)cc1
InChIInChI=1S/C54H34/c1-3-10-35(11-4-1)37-18-22-41(23-19-37)52-46-16-7-8-17-47(46)53(42-24-20-38(21-25-42)36-12-5-2-6-13-36)50-34-44(30-33-49(50)52)45-31-28-43-27-26-39-14-9-15-40-29-32-48(45)54(43)51(39)40/h1-34H
InChIKeyAFYLAOUQWIMASV-UHFFFAOYSA-N
XLogP15.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.23
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-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 158099931
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
9,10-dinaphthalen-1-yl-2-naphthalen-2-ylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(3-naphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)triphenylene;2,9,10-trinaphthalen-2-ylanthracene
CID 159027158
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
CID 159079152
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764
2-[2-(9,10-diphenylanthracen-2-yl)-4-(2-hydroxypropan-2-yl)-5-pyren-1-ylphenyl]propan-2-ol
CID 58261371

Frequently Asked Questions

What is the IUPAC name of 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene?
The IUPAC name of 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene (CID 59859301) is 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene.
What is the SMILES notation for 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene?
The canonical SMILES for 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc34)cc2)cc1.
What is the InChIKey of 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene?
The InChIKey is AFYLAOUQWIMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-3-10-35(11-4-1)37-18-22-41(23-19-37)52-46-16-7-8-17-47(46)53(42-24-20-38(21-25-42)36-12-5-2-6-13-36)50-34-44(30-33-49(50)52)45-31-28-43-27-26-39-14-9-15-40-29-32-48(45)54(43)51(39)40/h1-34H.
What are the key properties of 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene?
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene has a molecular weight of 682.87 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene is sourced from PubChem (CID 59859301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).