3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole

C38H34N4 — CID 59181226

IUPAC3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole
SMILESCCCc1cc(-c2ccc3c(-c4ccccc4)n[nH]c3c2)c(CCC)cc1-c1ccc2c(-c3ccccc3)n[nH]c2c1
InChIInChI=1S/C38H34N4/c1-3-11-27-21-34(30-18-20-32-36(24-30)40-42-38(32)26-15-9-6-10-16-26)28(12-4-2)22-33(27)29-17-19-31-35(23-29)39-41-37(31)25-13-7-5-8-14-25/h5-10,13-24H,3-4,11-12H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyKIPBMLVHQUISGO-UHFFFAOYSA-N
MW546.72 g/mol
LogP10.01
Rot. Bonds8

About 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole

3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole (PubChem CID 59181226) has the molecular formula C38H34N4 and a molecular weight of 546.72 g/mol. Its IUPAC name is 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole.

Molecular Properties

Compound Name3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole
PubChem CID59181226
Molecular FormulaC38H34N4
Molecular Weight546.72 g/mol
Exact Mass546.28
IUPAC Name3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole
SMILESCCCc1cc(-c2ccc3c(-c4ccccc4)n[nH]c3c2)c(CCC)cc1-c1ccc2c(-c3ccccc3)n[nH]c2c1
InChIInChI=1S/C38H34N4/c1-3-11-27-21-34(30-18-20-32-36(24-30)40-42-38(32)26-15-9-6-10-16-26)28(12-4-2)22-33(27)29-17-19-31-35(23-29)39-41-37(31)25-13-7-5-8-14-25/h5-10,13-24H,3-4,11-12H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyKIPBMLVHQUISGO-UHFFFAOYSA-N
XLogP10.01
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.72
LogP ≤ 510.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole?
The IUPAC name of 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole (CID 59181226) is 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole.
What is the SMILES notation for 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole?
The canonical SMILES for 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole is CCCc1cc(-c2ccc3c(-c4ccccc4)n[nH]c3c2)c(CCC)cc1-c1ccc2c(-c3ccccc3)n[nH]c2c1.
What is the InChIKey of 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole?
The InChIKey is KIPBMLVHQUISGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4/c1-3-11-27-21-34(30-18-20-32-36(24-30)40-42-38(32)26-15-9-6-10-16-26)28(12-4-2)22-33(27)29-17-19-31-35(23-29)39-41-37(31)25-13-7-5-8-14-25/h5-10,13-24H,3-4,11-12H2,1-2H3,(H,39,41)(H,40,42).
What are the key properties of 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole?
3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole has a molecular weight of 546.72 g/mol, XLogP of 10.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole is sourced from PubChem (CID 59181226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).