6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone

C23H15O+ — CID 102006758

IUPAC6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2ccc3c4c(ccc1c24)=C[CH+]C3
InChIInChI=1S/C23H15O/c24-23(18-5-2-1-3-6-18)20-14-12-17-10-9-15-7-4-8-16-11-13-19(20)22(17)21(15)16/h1-6,8-14H,7H2/q+1
InChIKeyWVMGMHKLWMQEDY-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.48
Rot. Bonds2

About 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone

6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone (PubChem CID 102006758) has the molecular formula C23H15O+ and a molecular weight of 307.37 g/mol. Its IUPAC name is 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone.

Molecular Properties

Compound Name6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone
PubChem CID102006758
Molecular FormulaC23H15O+
Molecular Weight307.37 g/mol
Exact Mass307.11
IUPAC Name6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2ccc3c4c(ccc1c24)=C[CH+]C3
InChIInChI=1S/C23H15O/c24-23(18-5-2-1-3-6-18)20-14-12-17-10-9-15-7-4-8-16-11-13-19(20)22(17)21(15)16/h1-6,8-14H,7H2/q+1
InChIKeyWVMGMHKLWMQEDY-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,8-dihydropyren-7-ylium-1-yl(phenyl)methanone
CID 102006760
[6-(4-methoxybenzoyl)pyren-1-yl]-(4-methoxyphenyl)methanone
CID 23069530
(4-methoxyphenyl)-pyren-1-ylmethanone
CID 23069494
(2,3-dibenzoylpyren-1-yl)-phenylmethanone
CID 87274326
7-benzoyl-2-aza-13-azoniaheptacyclo[16.5.2.14,8.02,13.015,24.021,25.012,26]hexacosa-1(23),4(26),5,7,9,11,13,15(24),16,18(25),21-undecaen-3-one
CID 44654323
phenyl-(4-pyren-1-ylphenyl)methanone
CID 102198939
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
(2-oxo-2-pyren-1-ylethyl) benzoate
CID 102263605
(2-aminopyren-1-yl)-phenylmethanone
CID 154364824
diphenylmethanone
CID 3102
(8-benzoyl-2,7-dihydroxynaphthalen-1-yl)-phenylmethanone
CID 139061724
2,5-bis(6-hydroxypyrene-1-carbonyl)terephthalic acid
CID 118460700

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone?
The IUPAC name of 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone (CID 102006758) is 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone.
What is the SMILES notation for 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone?
The canonical SMILES for 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone is O=C(c1ccccc1)c1ccc2ccc3c4c(ccc1c24)=C[CH+]C3.
What is the InChIKey of 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone?
The InChIKey is WVMGMHKLWMQEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15O/c24-23(18-5-2-1-3-6-18)20-14-12-17-10-9-15-7-4-8-16-11-13-19(20)22(17)21(15)16/h1-6,8-14H,7H2/q+1.
What are the key properties of 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone?
6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone has a molecular weight of 307.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydropyren-7-ylium-1-yl(phenyl)methanone is sourced from PubChem (CID 102006758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).