1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole

C22H18N2 — CID 20816248

IUPAC1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole
SMILESCn1nc(/C=C/c2ccccc2)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C22H18N2/c1-24-22-15-13-19(18-10-6-3-7-11-18)16-20(22)21(23-24)14-12-17-8-4-2-5-9-17/h2-16H,1H3/b14-12+
InChIKeyYHSCKLRLEQNLBO-WYMLVPIESA-N
MW310.40 g/mol
LogP5.41
Rot. Bonds3

About 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole

1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole (PubChem CID 20816248) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole.

Molecular Properties

Compound Name1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole
PubChem CID20816248
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole
SMILESCn1nc(/C=C/c2ccccc2)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C22H18N2/c1-24-22-15-13-19(18-10-6-3-7-11-18)16-20(22)21(23-24)14-12-17-8-4-2-5-9-17/h2-16H,1H3/b14-12+
InChIKeyYHSCKLRLEQNLBO-WYMLVPIESA-N
XLogP5.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole
CID 20816245
methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane
CID 142037681
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole
CID 89104477
2-[(E)-2-phenylethenyl]azulene
CID 12674002
4-phenyl-5-(2-phenylethenyl)-2-propan-2-yltriazole
CID 76610001
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3,9-dimethyl-6-phenylcarbazole
CID 59499447
3-[(E)-2-(6-methoxypyridazin-3-yl)ethenyl]-1-methylindazole
CID 166368459
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
5,10-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162740169
9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 58402256

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole?
The IUPAC name of 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole (CID 20816248) is 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole.
What is the SMILES notation for 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole?
The canonical SMILES for 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole is Cn1nc(/C=C/c2ccccc2)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole?
The InChIKey is YHSCKLRLEQNLBO-WYMLVPIESA-N. The full InChI is InChI=1S/C22H18N2/c1-24-22-15-13-19(18-10-6-3-7-11-18)16-20(22)21(23-24)14-12-17-8-4-2-5-9-17/h2-16H,1H3/b14-12+.
What are the key properties of 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole?
1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole has a molecular weight of 310.40 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole is sourced from PubChem (CID 20816248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).