1-(2-phenyl-5-pyren-1-ylphenyl)pyrene

C44H26 — CID 156656853

IUPAC1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
SMILESc1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C44H26/c1-2-6-27(7-3-1)35-22-20-34(36-21-16-32-14-12-28-8-4-10-30-18-24-38(36)43(32)41(28)30)26-40(35)37-23-17-33-15-13-29-9-5-11-31-19-25-39(37)44(33)42(29)31/h1-26H
InChIKeyZXWKKVLIAHKDNN-UHFFFAOYSA-N
MW554.69 g/mol
LogP12.48
Rot. Bonds3

About 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene

1-(2-phenyl-5-pyren-1-ylphenyl)pyrene (PubChem CID 156656853) has the molecular formula C44H26 and a molecular weight of 554.69 g/mol. Its IUPAC name is 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene.

Molecular Properties

Compound Name1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
PubChem CID156656853
Molecular FormulaC44H26
Molecular Weight554.69 g/mol
Exact Mass554.20
IUPAC Name1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
SMILESc1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C44H26/c1-2-6-27(7-3-1)35-22-20-34(36-21-16-32-14-12-28-8-4-10-30-18-24-38(36)43(32)41(28)30)26-40(35)37-23-17-33-15-13-29-9-5-11-31-19-25-39(37)44(33)42(29)31/h1-26H
InChIKeyZXWKKVLIAHKDNN-UHFFFAOYSA-N
XLogP12.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 512.48
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-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303240
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 161348592
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-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;1-[4-[2,4,5-tris(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 162207927
1-[2-(2-naphthalen-1-yl-5-pyren-1-ylphenyl)phenyl]pyrene
CID 169303134
1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303011
1,6-bis(2,5-diphenylphenyl)-3-(4-phenylphenyl)pyrene
CID 140589968
2-(6-phenylpyren-1-yl)-8-pyren-1-yldibenzothiophene
CID 59758450

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene?
The IUPAC name of 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene (CID 156656853) is 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene.
What is the SMILES notation for 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene?
The canonical SMILES for 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene is c1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2-c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene?
The InChIKey is ZXWKKVLIAHKDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26/c1-2-6-27(7-3-1)35-22-20-34(36-21-16-32-14-12-28-8-4-10-30-18-24-38(36)43(32)41(28)30)26-40(35)37-23-17-33-15-13-29-9-5-11-31-19-25-39(37)44(33)42(29)31/h1-26H.
What are the key properties of 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene?
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene has a molecular weight of 554.69 g/mol, XLogP of 12.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-5-pyren-1-ylphenyl)pyrene is sourced from PubChem (CID 156656853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).