2-(4-pyren-2-ylphenyl)pyrene

C38H22 — CID 140856020

IUPAC2-(4-pyren-2-ylphenyl)pyrene
SMILESc1cc2ccc3cc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)cc4ccc(c1)c2c34
InChIInChI=1S/C38H22/c1-3-25-11-15-29-19-33(20-30-16-12-26(4-1)35(25)37(29)30)23-7-9-24(10-8-23)34-21-31-17-13-27-5-2-6-28-14-18-32(22-34)38(31)36(27)28/h1-22H
InChIKeyFNFJUHNGRLTWJT-UHFFFAOYSA-N
MW478.59 g/mol
LogP10.82
Rot. Bonds2

About 2-(4-pyren-2-ylphenyl)pyrene

2-(4-pyren-2-ylphenyl)pyrene (PubChem CID 140856020) has the molecular formula C38H22 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-(4-pyren-2-ylphenyl)pyrene.

Molecular Properties

Compound Name2-(4-pyren-2-ylphenyl)pyrene
PubChem CID140856020
Molecular FormulaC38H22
Molecular Weight478.59 g/mol
Exact Mass478.17
IUPAC Name2-(4-pyren-2-ylphenyl)pyrene
SMILESc1cc2ccc3cc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)cc4ccc(c1)c2c34
InChIInChI=1S/C38H22/c1-3-25-11-15-29-19-33(20-30-16-12-26(4-1)35(25)37(29)30)23-7-9-24(10-8-23)34-21-31-17-13-27-5-2-6-28-14-18-32(22-34)38(31)36(27)28/h1-22H
InChIKeyFNFJUHNGRLTWJT-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-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]pyrene
CID 160595993
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
2-(8-pyren-2-ylnaphthalen-1-yl)pyrene
CID 13126696
2-[2,3,5,6-tetradeuterio-4-(3,5-diphenylphenyl)phenyl]pyrene
CID 140639494
3-naphthalen-2-yl-9-pyren-2-ylchrysene
CID 140818399
N-(3,5-dimethylphenyl)-N-(4-pyren-2-ylphenyl)pyren-2-amine
CID 90168379
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743
4-(7-pyren-4-ylnaphthalen-2-yl)pyrene
CID 59805090
7-(4-pyren-2-ylphenyl)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene
CID 167351626
4-[4-(10-phenylanthracen-9-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412773

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyren-2-ylphenyl)pyrene?
The IUPAC name of 2-(4-pyren-2-ylphenyl)pyrene (CID 140856020) is 2-(4-pyren-2-ylphenyl)pyrene.
What is the SMILES notation for 2-(4-pyren-2-ylphenyl)pyrene?
The canonical SMILES for 2-(4-pyren-2-ylphenyl)pyrene is c1cc2ccc3cc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)cc4ccc(c1)c2c34.
What is the InChIKey of 2-(4-pyren-2-ylphenyl)pyrene?
The InChIKey is FNFJUHNGRLTWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22/c1-3-25-11-15-29-19-33(20-30-16-12-26(4-1)35(25)37(29)30)23-7-9-24(10-8-23)34-21-31-17-13-27-5-2-6-28-14-18-32(22-34)38(31)36(27)28/h1-22H.
What are the key properties of 2-(4-pyren-2-ylphenyl)pyrene?
2-(4-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 2-(4-pyren-2-ylphenyl)pyrene is sourced from PubChem (CID 140856020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).