1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene

C54H32 — CID 169303240

IUPAC1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
SMILESc1ccc(-c2cc(-c3cc4ccccc4cc3-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C54H32/c1-2-8-33(9-3-1)48-32-42(24-27-44(48)43-25-20-38-18-16-34-12-6-14-36-22-28-46(43)53(38)51(34)36)49-30-40-10-4-5-11-41(40)31-50(49)45-26-21-39-19-17-35-13-7-15-37-23-29-47(45)54(39)52(35)37/h1-32H
InChIKeyLMYYUCIFFSPQBV-UHFFFAOYSA-N
MW680.85 g/mol
LogP15.30
Rot. Bonds4

About 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene

1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene (PubChem CID 169303240) has the molecular formula C54H32 and a molecular weight of 680.85 g/mol. Its IUPAC name is 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene.

Molecular Properties

Compound Name1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
PubChem CID169303240
Molecular FormulaC54H32
Molecular Weight680.85 g/mol
Exact Mass680.25
IUPAC Name1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
SMILESc1ccc(-c2cc(-c3cc4ccccc4cc3-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C54H32/c1-2-8-33(9-3-1)48-32-42(24-27-44(48)43-25-20-38-18-16-34-12-6-14-36-22-28-46(43)53(38)51(34)36)49-30-40-10-4-5-11-41(40)31-50(49)45-26-21-39-19-17-35-13-7-15-37-23-29-47(45)54(39)52(35)37/h1-32H
InChIKeyLMYYUCIFFSPQBV-UHFFFAOYSA-N
XLogP15.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 515.30
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-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene
CID 91537355
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-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
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-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene
CID 158695743
3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
CID 123449510

Frequently Asked Questions

What is the IUPAC name of 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene?
The IUPAC name of 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene (CID 169303240) is 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene.
What is the SMILES notation for 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene?
The canonical SMILES for 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene is c1ccc(-c2cc(-c3cc4ccccc4cc3-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene?
The InChIKey is LMYYUCIFFSPQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32/c1-2-8-33(9-3-1)48-32-42(24-27-44(48)43-25-20-38-18-16-34-12-6-14-36-22-28-46(43)53(38)51(34)36)49-30-40-10-4-5-11-41(40)31-50(49)45-26-21-39-19-17-35-13-7-15-37-23-29-47(45)54(39)52(35)37/h1-32H.
What are the key properties of 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene?
1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene has a molecular weight of 680.85 g/mol, XLogP of 15.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene is sourced from PubChem (CID 169303240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).