1,6-bis(3,5-diphenylphenyl)pyrene

C52H34 — CID 59133444

IUPAC1,6-bis(3,5-diphenylphenyl)pyrene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4ccc5c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc6ccc3c4c65)c2)cc1
InChIInChI=1S/C52H34/c1-5-13-35(14-6-1)41-29-42(36-15-7-2-8-16-36)32-45(31-41)47-25-21-39-24-28-50-48(26-22-40-23-27-49(47)51(39)52(40)50)46-33-43(37-17-9-3-10-18-37)30-44(34-46)38-19-11-4-12-20-38/h1-34H
InChIKeyRXLADPGNLAGLAN-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.59
Rot. Bonds6

About 1,6-bis(3,5-diphenylphenyl)pyrene

1,6-bis(3,5-diphenylphenyl)pyrene (PubChem CID 59133444) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 1,6-bis(3,5-diphenylphenyl)pyrene.

Molecular Properties

Compound Name1,6-bis(3,5-diphenylphenyl)pyrene
PubChem CID59133444
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name1,6-bis(3,5-diphenylphenyl)pyrene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4ccc5c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc6ccc3c4c65)c2)cc1
InChIInChI=1S/C52H34/c1-5-13-35(14-6-1)41-29-42(36-15-7-2-8-16-36)32-45(31-41)47-25-21-39-24-28-50-48(26-22-40-23-27-49(47)51(39)52(40)50)46-33-43(37-17-9-3-10-18-37)30-44(34-46)38-19-11-4-12-20-38/h1-34H
InChIKeyRXLADPGNLAGLAN-UHFFFAOYSA-N
XLogP14.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
1-[3-bromo-5-(3-phenylphenyl)phenyl]pyrene
CID 86253771
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
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
8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene
CID 123460391
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-(3-pyren-2-ylphenyl)pyrene
CID 156656908
1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;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-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene
CID 158441814
1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran
CID 170150566
1,6-bis[3,5-bis(4-methoxyphenyl)phenyl]pyrene
CID 171600428
5-phenyl-12-[3-phenyl-5-(6-phenylpyren-1-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171044835
15-(3-phenyl-5-pyren-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 171045935

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(3,5-diphenylphenyl)pyrene?
The IUPAC name of 1,6-bis(3,5-diphenylphenyl)pyrene (CID 59133444) is 1,6-bis(3,5-diphenylphenyl)pyrene.
What is the SMILES notation for 1,6-bis(3,5-diphenylphenyl)pyrene?
The canonical SMILES for 1,6-bis(3,5-diphenylphenyl)pyrene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4ccc5c(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)ccc6ccc3c4c65)c2)cc1.
What is the InChIKey of 1,6-bis(3,5-diphenylphenyl)pyrene?
The InChIKey is RXLADPGNLAGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-5-13-35(14-6-1)41-29-42(36-15-7-2-8-16-36)32-45(31-41)47-25-21-39-24-28-50-48(26-22-40-23-27-49(47)51(39)52(40)50)46-33-43(37-17-9-3-10-18-37)30-44(34-46)38-19-11-4-12-20-38/h1-34H.
What are the key properties of 1,6-bis(3,5-diphenylphenyl)pyrene?
1,6-bis(3,5-diphenylphenyl)pyrene has a molecular weight of 658.84 g/mol, XLogP of 14.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(3,5-diphenylphenyl)pyrene is sourced from PubChem (CID 59133444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).