5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole

C24H18N2 — CID 134185825

IUPAC5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole
SMILESC1=C(c2ccccc2)CC(c2ccc(-c3ccc4c(c3)CN=N4)cc2)=C1
InChIInChI=1S/C24H18N2/c1-2-4-17(5-3-1)20-10-11-21(14-20)18-6-8-19(9-7-18)22-12-13-24-23(15-22)16-25-26-24/h1-13,15H,14,16H2
InChIKeyBFQXOTYDWILVQH-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.82
Rot. Bonds3

About 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole

5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole (PubChem CID 134185825) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole.

Molecular Properties

Compound Name5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole
PubChem CID134185825
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole
SMILESC1=C(c2ccccc2)CC(c2ccc(-c3ccc4c(c3)CN=N4)cc2)=C1
InChIInChI=1S/C24H18N2/c1-2-4-17(5-3-1)20-10-11-21(14-20)18-6-8-19(9-7-18)22-12-13-24-23(15-22)16-25-26-24/h1-13,15H,14,16H2
InChIKeyBFQXOTYDWILVQH-UHFFFAOYSA-N
XLogP6.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 70847371
3H-indazole;methane
CID 161379696
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
carbanide;dichlorozirconium(2+);1H-indene;(4-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 158925857
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
5,13-diphenyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163494691
2,5-diphenyl-1H-indene;zirconium(2+);dichloride
CID 175286821
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1,3,5-triphenylbenzene
CID 158331433

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole?
The IUPAC name of 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole (CID 134185825) is 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole.
What is the SMILES notation for 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole?
The canonical SMILES for 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole is C1=C(c2ccccc2)CC(c2ccc(-c3ccc4c(c3)CN=N4)cc2)=C1.
What is the InChIKey of 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole?
The InChIKey is BFQXOTYDWILVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-2-4-17(5-3-1)20-10-11-21(14-20)18-6-8-19(9-7-18)22-12-13-24-23(15-22)16-25-26-24/h1-13,15H,14,16H2.
What are the key properties of 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole?
5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole has a molecular weight of 334.42 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-phenylcyclopenta-1,3-dien-1-yl)phenyl]-3H-indazole is sourced from PubChem (CID 134185825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).