1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole

C42H34N4 — CID 143732835

IUPAC1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole
SMILESCc1cc(-n2nc(-c3ccccc3)c3ccccc32)c(C)cc1-c1cc(C)c(-n2nc(-c3ccccc3)c3ccccc32)cc1C
InChIInChI=1S/C42H34N4/c1-27-25-39(45-37-21-13-11-19-33(37)41(43-45)31-15-7-5-8-16-31)29(3)23-35(27)36-24-30(4)40(26-28(36)2)46-38-22-14-12-20-34(38)42(44-46)32-17-9-6-10-18-32/h5-26H,1-4H3
InChIKeyYWBBIGHHQPOYET-UHFFFAOYSA-N
MW594.76 g/mol
LogP10.60
Rot. Bonds5

About 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole

1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole (PubChem CID 143732835) has the molecular formula C42H34N4 and a molecular weight of 594.76 g/mol. Its IUPAC name is 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole.

Molecular Properties

Compound Name1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole
PubChem CID143732835
Molecular FormulaC42H34N4
Molecular Weight594.76 g/mol
Exact Mass594.28
IUPAC Name1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole
SMILESCc1cc(-n2nc(-c3ccccc3)c3ccccc32)c(C)cc1-c1cc(C)c(-n2nc(-c3ccccc3)c3ccccc32)cc1C
InChIInChI=1S/C42H34N4/c1-27-25-39(45-37-21-13-11-19-33(37)41(43-45)31-15-7-5-8-16-31)29(3)23-35(27)36-24-30(4)40(26-28(36)2)46-38-22-14-12-20-34(38)42(44-46)32-17-9-6-10-18-32/h5-26H,1-4H3
InChIKeyYWBBIGHHQPOYET-UHFFFAOYSA-N
XLogP10.60
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylphenyl)-3-phenylindazole
CID 59661510
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole
CID 67574346
3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
CID 102441291
9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525
1-tert-butyl-3-phenylindazole
CID 59633775
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306789
9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one
CID 143463066
4-(1-phenylindazol-3-yl)benzonitrile
CID 57379769
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole?
The IUPAC name of 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole (CID 143732835) is 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole.
What is the SMILES notation for 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole?
The canonical SMILES for 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole is Cc1cc(-n2nc(-c3ccccc3)c3ccccc32)c(C)cc1-c1cc(C)c(-n2nc(-c3ccccc3)c3ccccc32)cc1C.
What is the InChIKey of 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole?
The InChIKey is YWBBIGHHQPOYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4/c1-27-25-39(45-37-21-13-11-19-33(37)41(43-45)31-15-7-5-8-16-31)29(3)23-35(27)36-24-30(4)40(26-28(36)2)46-38-22-14-12-20-34(38)42(44-46)32-17-9-6-10-18-32/h5-26H,1-4H3.
What are the key properties of 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole?
1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole has a molecular weight of 594.76 g/mol, XLogP of 10.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole is sourced from PubChem (CID 143732835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).