4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine

C52H31N7OS — CID 141286195

IUPAC4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine
SMILESC1=CC(c2c(-c3cc4ccccc4o3)c(-c3cc4ccccc4s3)c(-c3cc4ccccc4[nH]3)c(-c3n[nH]c4ccccc34)c2-c2nnnc3cccnc23)c2ccccc21
InChIInChI=1S/C52H31N7OS/c1-5-16-33-29(12-1)23-24-34(33)44-46(41-27-31-14-3-9-21-40(31)60-41)47(43-28-32-15-4-10-22-42(32)61-43)45(39-26-30-13-2-7-18-36(30)54-39)49(50-35-17-6-8-19-37(35)55-57-50)48(44)52-51-38(56-59-58-52)20-11-25-53-51/h1-28,34,54H,(H,55,57)
InChIKeyGFORZXWYSMAKSC-UHFFFAOYSA-N
MW801.94 g/mol
LogP13.23
Rot. Bonds6

About 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine

4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine (PubChem CID 141286195) has the molecular formula C52H31N7OS and a molecular weight of 801.94 g/mol. Its IUPAC name is 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine.

Molecular Properties

Compound Name4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine
PubChem CID141286195
Molecular FormulaC52H31N7OS
Molecular Weight801.94 g/mol
Exact Mass801.23
IUPAC Name4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine
SMILESC1=CC(c2c(-c3cc4ccccc4o3)c(-c3cc4ccccc4s3)c(-c3cc4ccccc4[nH]3)c(-c3n[nH]c4ccccc34)c2-c2nnnc3cccnc23)c2ccccc21
InChIInChI=1S/C52H31N7OS/c1-5-16-33-29(12-1)23-24-34(33)44-46(41-27-31-14-3-9-21-40(31)60-41)47(43-28-32-15-4-10-22-42(32)61-43)45(39-26-30-13-2-7-18-36(30)54-39)49(50-35-17-6-8-19-37(35)55-57-50)48(44)52-51-38(56-59-58-52)20-11-25-53-51/h1-28,34,54H,(H,55,57)
InChIKeyGFORZXWYSMAKSC-UHFFFAOYSA-N
XLogP13.23
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.94
LogP ≤ 513.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[8-[3-(8-Pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 57958322
5-[(1Z,3E)-1-[5-[3-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]-1-benzothiophen-2-yl]penta-1,3-dien-3-yl]pyrido[3,2-b]indole
CID 88569208
8-[3-[3-(5-Dibenzofuran-2-ylpyrido[3,2-b]indol-8-yl)phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine
CID 89850227
7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
CID 90928440
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
1-[(2S)-1-[[5-[3-(5-methylfuran-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[5-[3-(5-methylthiophen-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
CID 91501037
5-[8-[3-[8-(1,2-Dihydropyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 117900861
2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole
CID 118616195
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
23-(3-Pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene
CID 129040401
23-(3-Pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
CID 129040405

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine?
The IUPAC name of 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine (CID 141286195) is 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine.
What is the SMILES notation for 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine?
The canonical SMILES for 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine is C1=CC(c2c(-c3cc4ccccc4o3)c(-c3cc4ccccc4s3)c(-c3cc4ccccc4[nH]3)c(-c3n[nH]c4ccccc34)c2-c2nnnc3cccnc23)c2ccccc21.
What is the InChIKey of 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine?
The InChIKey is GFORZXWYSMAKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N7OS/c1-5-16-33-29(12-1)23-24-34(33)44-46(41-27-31-14-3-9-21-40(31)60-41)47(43-28-32-15-4-10-22-42(32)61-43)45(39-26-30-13-2-7-18-36(30)54-39)49(50-35-17-6-8-19-37(35)55-57-50)48(44)52-51-38(56-59-58-52)20-11-25-53-51/h1-28,34,54H,(H,55,57).
What are the key properties of 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine?
4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine has a molecular weight of 801.94 g/mol, XLogP of 13.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indazol-3-yl)-6-(1H-inden-1-yl)-3-(1H-indol-2-yl)phenyl]pyrido[3,2-d]triazine is sourced from PubChem (CID 141286195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).