(2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate

C25H18ClNO5 — CID 134909558

IUPAC(2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)O/C1=C1/C=c2ccccc2=[NH+]1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H17NO.ClHO4/c1-3-9-18(10-4-1)21-16-24(19-11-5-2-6-12-19)27-25(17-21)23-15-20-13-7-8-14-22(20)26-23;2-1(3,4)5/h1-17H;(H,2,3,4,5)/b25-23-;
InChIKeyBKVXKMSRXANEGN-ADYMNVQMSA-N
MW447.87 g/mol
LogP-2.21
Rot. Bonds2

About (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate

(2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate (PubChem CID 134909558) has the molecular formula C25H18ClNO5 and a molecular weight of 447.87 g/mol. Its IUPAC name is (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate.

Molecular Properties

Compound Name(2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate
PubChem CID134909558
Molecular FormulaC25H18ClNO5
Molecular Weight447.87 g/mol
Exact Mass447.09
IUPAC Name(2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)O/C1=C1/C=c2ccccc2=[NH+]1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H17NO.ClHO4/c1-3-9-18(10-4-1)21-16-24(19-11-5-2-6-12-19)27-25(17-21)23-15-20-13-7-8-14-22(20)26-23;2-1(3,4)5/h1-17H;(H,2,3,4,5)/b25-23-;
InChIKeyBKVXKMSRXANEGN-ADYMNVQMSA-N
XLogP-2.21
TPSA115.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.87
LogP ≤ 5-2.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium perchlorate
CID 12278065
6-(4-Dimethylami-nostyryl)-2,4-diphenylpyrylium perchlorate
CID 13710030
1,2,3,4-tetrahydro-6-(phenylmethoxy)-9-[(4-fluorophenyl)methyl]-9H-dibenzo[b,d]pyrrole
CID 19384468
5-[(2-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole
CID 19384558
5-[(3-fluorophenyl)methyl]-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-carbazole
CID 19384593
Acetyl-(2,6-diphenylpyran-4-ylidene)azanium perchlorate
CID 12368388
4-(2,6-Diphenylpyran-4-ylidene)-3,5-dimethylpyrazol-1-ium perchlorate
CID 12808404
4-(2,6-Diphenylpyran-4-ylidene)-1,3,5-trimethylpyrazol-1-ium perchlorate
CID 12808405
2,6-Diphenyl-4-(p-dimethylaminostyryl)pyrylium perchlorate
CID 44719758
2,6-Diphenyl-4-(1-methyl-2-pyrrolyl)pyrylium perchlorate
CID 45046433
[4-[(1,3-Diphenyl-6,7-dihydrocyclopenta[c]pyran-5-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium perchlorate
CID 45148665
2,6-Diphenyl-4-(p-aminophenyl)pyrylium perchlorate
CID 85801129

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate?
The IUPAC name of (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate (CID 134909558) is (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate.
What is the SMILES notation for (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate?
The canonical SMILES for (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate is C1=C(c2ccccc2)C=C(c2ccccc2)O/C1=C1/C=c2ccccc2=[NH+]1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate?
The InChIKey is BKVXKMSRXANEGN-ADYMNVQMSA-N. The full InChI is InChI=1S/C25H17NO.ClHO4/c1-3-9-18(10-4-1)21-16-24(19-11-5-2-6-12-19)27-25(17-21)23-15-20-13-7-8-14-22(20)26-23;2-1(3,4)5/h1-17H;(H,2,3,4,5)/b25-23-;.
What are the key properties of (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate?
(2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate has a molecular weight of 447.87 g/mol, XLogP of -2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4,6-diphenylpyran-2-ylidene)indol-1-ium perchlorate is sourced from PubChem (CID 134909558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).