1-pyren-4-ylpyrene

C32H18 — CID 71343129

IUPAC1-pyren-4-ylpyrene
SMILESc1cc2ccc3ccc(-c4cc5cccc6ccc7cccc4c7c65)c4ccc(c1)c2c34
InChIInChI=1S/C32H18/c1-4-19-11-13-23-14-16-25(27-17-15-21(5-1)29(19)32(23)27)28-18-24-8-2-6-20-10-12-22-7-3-9-26(28)31(22)30(20)24/h1-18H
InChIKeyMFDVFDUKZTWEPZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP9.15
Rot. Bonds1

About 1-pyren-4-ylpyrene

1-pyren-4-ylpyrene (PubChem CID 71343129) has the molecular formula C32H18 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-pyren-4-ylpyrene.

Molecular Properties

Compound Name1-pyren-4-ylpyrene
PubChem CID71343129
Molecular FormulaC32H18
Molecular Weight402.50 g/mol
Exact Mass402.14
IUPAC Name1-pyren-4-ylpyrene
SMILESc1cc2ccc3ccc(-c4cc5cccc6ccc7cccc4c7c65)c4ccc(c1)c2c34
InChIInChI=1S/C32H18/c1-4-19-11-13-23-14-16-25(27-17-15-21(5-1)29(19)32(23)27)28-18-24-8-2-6-20-10-12-22-7-3-9-26(28)31(22)30(20)24/h1-18H
InChIKeyMFDVFDUKZTWEPZ-UHFFFAOYSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 59.15
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

1,5-di(phenanthren-9-yl)pyrene
CID 155759767
1,8-di(pyren-1-yl)pyrene
CID 58915622
19-(4-pyren-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaene
CID 167412019
4-[3-[3,5-di(pyren-4-yl)phenyl]-5-pyren-4-ylphenyl]pyrene
CID 140757115
5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene
CID 91537355
2-pyren-1-ylperylene
CID 91500760
3,10,17,20-tetra(pyren-4-yl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722753
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
4-(7-pyren-4-ylnaphthalen-2-yl)pyrene
CID 59805090
1-(2,5-dimethyl-4-pyren-1-ylphenyl)pyrene;phosphane
CID 160688990
4-(5-dibenzothiophen-4-ylpyren-1-yl)dibenzothiophene
CID 176846423
1-(2,3,4,5-tetranaphthalen-2-yl-6-pyren-4-ylphenyl)pyrene
CID 59993826

Frequently Asked Questions

What is the IUPAC name of 1-pyren-4-ylpyrene?
The IUPAC name of 1-pyren-4-ylpyrene (CID 71343129) is 1-pyren-4-ylpyrene.
What is the SMILES notation for 1-pyren-4-ylpyrene?
The canonical SMILES for 1-pyren-4-ylpyrene is c1cc2ccc3ccc(-c4cc5cccc6ccc7cccc4c7c65)c4ccc(c1)c2c34.
What is the InChIKey of 1-pyren-4-ylpyrene?
The InChIKey is MFDVFDUKZTWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18/c1-4-19-11-13-23-14-16-25(27-17-15-21(5-1)29(19)32(23)27)28-18-24-8-2-6-20-10-12-22-7-3-9-26(28)31(22)30(20)24/h1-18H.
What are the key properties of 1-pyren-4-ylpyrene?
1-pyren-4-ylpyrene has a molecular weight of 402.50 g/mol, XLogP of 9.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyren-4-ylpyrene is sourced from PubChem (CID 71343129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).