7,14-diphenylpentacene-5,12-diol

C34H22O2 — CID 91191463

IUPAC7,14-diphenylpentacene-5,12-diol
SMILESOc1c2ccccc2c(-c2ccccc2)c2cc3c(O)c4ccccc4c(-c4ccccc4)c3cc12
InChIInChI=1S/C34H22O2/c35-33-25-17-9-7-15-23(25)31(21-11-3-1-4-12-21)27-19-30-28(20-29(27)33)32(22-13-5-2-6-14-22)24-16-8-10-18-26(24)34(30)36/h1-20,35-36H
InChIKeyFDPGDXOVSZYYMT-UHFFFAOYSA-N
MW462.55 g/mol
LogP9.04
Rot. Bonds2

About 7,14-diphenylpentacene-5,12-diol

7,14-diphenylpentacene-5,12-diol (PubChem CID 91191463) has the molecular formula C34H22O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 7,14-diphenylpentacene-5,12-diol.

Molecular Properties

Compound Name7,14-diphenylpentacene-5,12-diol
PubChem CID91191463
Molecular FormulaC34H22O2
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name7,14-diphenylpentacene-5,12-diol
SMILESOc1c2ccccc2c(-c2ccccc2)c2cc3c(O)c4ccccc4c(-c4ccccc4)c3cc12
InChIInChI=1S/C34H22O2/c35-33-25-17-9-7-15-23(25)31(21-11-3-1-4-12-21)27-19-30-28(20-29(27)33)32(22-13-5-2-6-14-22)24-16-8-10-18-26(24)34(30)36/h1-20,35-36H
InChIKeyFDPGDXOVSZYYMT-UHFFFAOYSA-N
XLogP9.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-10-phenylanthracen-9-ol
CID 71405477
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
acetic acid;2-ethyl-10-phenylanthracen-9-ol
CID 71405476
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
3-methyl-2,4-diphenylnaphthalen-1-ol
CID 134947598
2,3-dibromo-4-phenylnaphthalen-1-ol
CID 12675705
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,6,9,10-tetraphenylanthracene
CID 58645118
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
2-bromo-9,10-diphenylanthracene
CID 22247163
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896

Frequently Asked Questions

What is the IUPAC name of 7,14-diphenylpentacene-5,12-diol?
The IUPAC name of 7,14-diphenylpentacene-5,12-diol (CID 91191463) is 7,14-diphenylpentacene-5,12-diol.
What is the SMILES notation for 7,14-diphenylpentacene-5,12-diol?
The canonical SMILES for 7,14-diphenylpentacene-5,12-diol is Oc1c2ccccc2c(-c2ccccc2)c2cc3c(O)c4ccccc4c(-c4ccccc4)c3cc12.
What is the InChIKey of 7,14-diphenylpentacene-5,12-diol?
The InChIKey is FDPGDXOVSZYYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O2/c35-33-25-17-9-7-15-23(25)31(21-11-3-1-4-12-21)27-19-30-28(20-29(27)33)32(22-13-5-2-6-14-22)24-16-8-10-18-26(24)34(30)36/h1-20,35-36H.
What are the key properties of 7,14-diphenylpentacene-5,12-diol?
7,14-diphenylpentacene-5,12-diol has a molecular weight of 462.55 g/mol, XLogP of 9.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-diphenylpentacene-5,12-diol is sourced from PubChem (CID 91191463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).