1-(3-pyren-2-ylphenyl)pyrene

C38H22 — CID 156656908

IUPAC1-(3-pyren-2-ylphenyl)pyrene
SMILESc1cc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1
InChIInChI=1S/C38H22/c1-4-23-12-14-30-21-32(22-31-15-13-24(5-1)35(23)37(30)31)28-8-3-9-29(20-28)33-18-16-27-11-10-25-6-2-7-26-17-19-34(33)38(27)36(25)26/h1-22H
InChIKeyGMDZHWZSAZXMBX-UHFFFAOYSA-N
MW478.59 g/mol
LogP10.82
Rot. Bonds2

About 1-(3-pyren-2-ylphenyl)pyrene

1-(3-pyren-2-ylphenyl)pyrene (PubChem CID 156656908) has the molecular formula C38H22 and a molecular weight of 478.59 g/mol. Its IUPAC name is 1-(3-pyren-2-ylphenyl)pyrene.

Molecular Properties

Compound Name1-(3-pyren-2-ylphenyl)pyrene
PubChem CID156656908
Molecular FormulaC38H22
Molecular Weight478.59 g/mol
Exact Mass478.17
IUPAC Name1-(3-pyren-2-ylphenyl)pyrene
SMILESc1cc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1
InChIInChI=1S/C38H22/c1-4-23-12-14-30-21-32(22-31-15-13-24(5-1)35(23)37(30)31)28-8-3-9-29(20-28)33-18-16-27-11-10-25-6-2-7-26-17-19-34(33)38(27)36(25)26/h1-22H
InChIKeyGMDZHWZSAZXMBX-UHFFFAOYSA-N
XLogP10.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 510.82
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

2-(3-pyren-4-ylphenyl)pyrene
CID 168812649
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-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 161348592
1-(6-pyren-1-ylphenanthren-3-yl)pyrene
CID 142721789
1-[3-bromo-5-(3-phenylphenyl)phenyl]pyrene
CID 86253771
2-pyren-1-ylperylene
CID 91500760
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1,6-bis(3-phenanthren-4-ylphenyl)pyrene
CID 170778700
1,6-bis(3,5-diphenylphenyl)pyrene
CID 59133444
4-[3-[3,5-di(pyren-4-yl)phenyl]-5-pyren-4-ylphenyl]pyrene
CID 140757115
4-phenyl-11-(3-pyren-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045655
1-[3-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenylphenyl]phenyl]pyrene
CID 59217234

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyren-2-ylphenyl)pyrene?
The IUPAC name of 1-(3-pyren-2-ylphenyl)pyrene (CID 156656908) is 1-(3-pyren-2-ylphenyl)pyrene.
What is the SMILES notation for 1-(3-pyren-2-ylphenyl)pyrene?
The canonical SMILES for 1-(3-pyren-2-ylphenyl)pyrene is c1cc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.
What is the InChIKey of 1-(3-pyren-2-ylphenyl)pyrene?
The InChIKey is GMDZHWZSAZXMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22/c1-4-23-12-14-30-21-32(22-31-15-13-24(5-1)35(23)37(30)31)28-8-3-9-29(20-28)33-18-16-27-11-10-25-6-2-7-26-17-19-34(33)38(27)36(25)26/h1-22H.
What are the key properties of 1-(3-pyren-2-ylphenyl)pyrene?
1-(3-pyren-2-ylphenyl)pyrene has a molecular weight of 478.59 g/mol, XLogP of 10.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyren-2-ylphenyl)pyrene is sourced from PubChem (CID 156656908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).