6-phenylbenzo[c]chromen-5-ium

C19H13O+ — CID 12735781

IUPAC6-phenylbenzo[c]chromen-5-ium
SMILESc1ccc(-c2[o+]c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C19H13O/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19/h1-13H/q+1
InChIKeyPJPSNIRROWPRPO-UHFFFAOYSA-N
MW257.31 g/mol
LogP5.53
Rot. Bonds1

About 6-phenylbenzo[c]chromen-5-ium

6-phenylbenzo[c]chromen-5-ium (PubChem CID 12735781) has the molecular formula C19H13O+ and a molecular weight of 257.31 g/mol. Its IUPAC name is 6-phenylbenzo[c]chromen-5-ium.

Molecular Properties

Compound Name6-phenylbenzo[c]chromen-5-ium
PubChem CID12735781
Molecular FormulaC19H13O+
Molecular Weight257.31 g/mol
Exact Mass257.10
IUPAC Name6-phenylbenzo[c]chromen-5-ium
SMILESc1ccc(-c2[o+]c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C19H13O/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19/h1-13H/q+1
InChIKeyPJPSNIRROWPRPO-UHFFFAOYSA-N
XLogP5.53
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.31
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-benzylxanthen-10-ium
CID 12557009
6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium
CID 134911742
1,3-diphenylisochromenylium perchlorate
CID 12710912
9-benzylxanthen-10-ium perchlorate
CID 12557010
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
benzene;tris(1,1'-biphenyl)
CID 162155747
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
4-phenylchromenylium
CID 12828704
6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate
CID 134911741
2-chloro-6,12-diphenylchrysene
CID 58501171
4,6-diphenyl-2-(4-phenylphenyl)chromenylium
CID 90472342

Frequently Asked Questions

What is the IUPAC name of 6-phenylbenzo[c]chromen-5-ium?
The IUPAC name of 6-phenylbenzo[c]chromen-5-ium (CID 12735781) is 6-phenylbenzo[c]chromen-5-ium.
What is the SMILES notation for 6-phenylbenzo[c]chromen-5-ium?
The canonical SMILES for 6-phenylbenzo[c]chromen-5-ium is c1ccc(-c2[o+]c3ccccc3c3ccccc23)cc1.
What is the InChIKey of 6-phenylbenzo[c]chromen-5-ium?
The InChIKey is PJPSNIRROWPRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13O/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19/h1-13H/q+1.
What are the key properties of 6-phenylbenzo[c]chromen-5-ium?
6-phenylbenzo[c]chromen-5-ium has a molecular weight of 257.31 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylbenzo[c]chromen-5-ium is sourced from PubChem (CID 12735781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).