4-phenylperylene-1,7-diol

C26H16O2 — CID 155755188

IUPAC4-phenylperylene-1,7-diol
SMILESOc1ccc2cccc3c4c(O)ccc5c(-c6ccccc6)ccc(c1c23)c54
InChIInChI=1S/C26H16O2/c27-21-13-9-16-7-4-8-19-23(16)25(21)20-11-10-17(15-5-2-1-3-6-15)18-12-14-22(28)26(19)24(18)20/h1-14,27-28H
InChIKeyKOTBOLSWVOTGEJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP6.82
Rot. Bonds1

About 4-phenylperylene-1,7-diol

4-phenylperylene-1,7-diol (PubChem CID 155755188) has the molecular formula C26H16O2 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-phenylperylene-1,7-diol.

Molecular Properties

Compound Name4-phenylperylene-1,7-diol
PubChem CID155755188
Molecular FormulaC26H16O2
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC Name4-phenylperylene-1,7-diol
SMILESOc1ccc2cccc3c4c(O)ccc5c(-c6ccccc6)ccc(c1c23)c54
InChIInChI=1S/C26H16O2/c27-21-13-9-16-7-4-8-19-23(16)25(21)20-11-10-17(15-5-2-1-3-6-15)18-12-14-22(28)26(19)24(18)20/h1-14,27-28H
InChIKeyKOTBOLSWVOTGEJ-UHFFFAOYSA-N
XLogP6.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'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
perylene-1,10-diol
CID 139257662
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21,23,25-tridecaen-19-ol
CID 126662128
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
2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176632742
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
2-(4-phenylnaphthalen-1-yl)pyrene
CID 140737016

Frequently Asked Questions

What is the IUPAC name of 4-phenylperylene-1,7-diol?
The IUPAC name of 4-phenylperylene-1,7-diol (CID 155755188) is 4-phenylperylene-1,7-diol.
What is the SMILES notation for 4-phenylperylene-1,7-diol?
The canonical SMILES for 4-phenylperylene-1,7-diol is Oc1ccc2cccc3c4c(O)ccc5c(-c6ccccc6)ccc(c1c23)c54.
What is the InChIKey of 4-phenylperylene-1,7-diol?
The InChIKey is KOTBOLSWVOTGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O2/c27-21-13-9-16-7-4-8-19-23(16)25(21)20-11-10-17(15-5-2-1-3-6-15)18-12-14-22(28)26(19)24(18)20/h1-14,27-28H.
What are the key properties of 4-phenylperylene-1,7-diol?
4-phenylperylene-1,7-diol has a molecular weight of 360.41 g/mol, XLogP of 6.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylperylene-1,7-diol is sourced from PubChem (CID 155755188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).