2-(4-phenylnaphthalen-1-yl)pyrene

C32H20 — CID 140737016

IUPAC2-(4-phenylnaphthalen-1-yl)pyrene
SMILESc1ccc(-c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)cc1
InChIInChI=1S/C32H20/c1-2-7-21(8-3-1)27-17-18-28(30-12-5-4-11-29(27)30)26-19-24-15-13-22-9-6-10-23-14-16-25(20-26)32(24)31(22)23/h1-20H
InChIKeyAYJRJHONJWFEDQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP9.07
Rot. Bonds2

About 2-(4-phenylnaphthalen-1-yl)pyrene

2-(4-phenylnaphthalen-1-yl)pyrene (PubChem CID 140737016) has the molecular formula C32H20 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(4-phenylnaphthalen-1-yl)pyrene.

Molecular Properties

Compound Name2-(4-phenylnaphthalen-1-yl)pyrene
PubChem CID140737016
Molecular FormulaC32H20
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name2-(4-phenylnaphthalen-1-yl)pyrene
SMILESc1ccc(-c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)cc1
InChIInChI=1S/C32H20/c1-2-7-21(8-3-1)27-17-18-28(30-12-5-4-11-29(27)30)26-19-24-15-13-22-9-6-10-23-14-16-25(20-26)32(24)31(22)23/h1-20H
InChIKeyAYJRJHONJWFEDQ-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 59.07
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-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-phenyl-3-pyren-2-yltriphenylene
CID 165375580
1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene
CID 169303128
2-pyren-1-ylperylene
CID 91500760
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-(3-pyren-2-ylphenyl)pyrene
CID 156656908
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
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
5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene
CID 91537355
7-(6-phenylpyren-2-yl)benzo[a]anthracene
CID 177078612
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylnaphthalen-1-yl)pyrene?
The IUPAC name of 2-(4-phenylnaphthalen-1-yl)pyrene (CID 140737016) is 2-(4-phenylnaphthalen-1-yl)pyrene.
What is the SMILES notation for 2-(4-phenylnaphthalen-1-yl)pyrene?
The canonical SMILES for 2-(4-phenylnaphthalen-1-yl)pyrene is c1ccc(-c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)cc1.
What is the InChIKey of 2-(4-phenylnaphthalen-1-yl)pyrene?
The InChIKey is AYJRJHONJWFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20/c1-2-7-21(8-3-1)27-17-18-28(30-12-5-4-11-29(27)30)26-19-24-15-13-22-9-6-10-23-14-16-25(20-26)32(24)31(22)23/h1-20H.
What are the key properties of 2-(4-phenylnaphthalen-1-yl)pyrene?
2-(4-phenylnaphthalen-1-yl)pyrene has a molecular weight of 404.51 g/mol, XLogP of 9.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylnaphthalen-1-yl)pyrene is sourced from PubChem (CID 140737016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).