3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole

C43H30N6OS — CID 141145263

IUPAC3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole
SMILESc1ccc2c(c1)CCN2N1c2cccc(-c3ccnnn3)c2C(c2cc3ccccc3o2)C1(c1cc2ccccc2[nH]1)c1cc2ccccc2s1
InChIInChI=1S/C43H30N6OS/c1-5-15-32-28(11-1)25-39(45-32)43(40-26-30-13-4-8-19-38(30)51-40)42(37-24-29-12-3-7-18-36(29)50-37)41-31(33-20-22-44-47-46-33)14-9-17-35(41)49(43)48-23-21-27-10-2-6-16-34(27)48/h1-20,22,24-26,42,45H,21,23H2
InChIKeyVUMYJKJLWIAHSL-UHFFFAOYSA-N
MW678.82 g/mol
LogP9.85
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole

3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole (PubChem CID 141145263) has the molecular formula C43H30N6OS and a molecular weight of 678.82 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole
PubChem CID141145263
Molecular FormulaC43H30N6OS
Molecular Weight678.82 g/mol
Exact Mass678.22
IUPAC Name3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole
SMILESc1ccc2c(c1)CCN2N1c2cccc(-c3ccnnn3)c2C(c2cc3ccccc3o2)C1(c1cc2ccccc2[nH]1)c1cc2ccccc2s1
InChIInChI=1S/C43H30N6OS/c1-5-15-32-28(11-1)25-39(45-32)43(40-26-30-13-4-8-19-38(30)51-40)42(37-24-29-12-3-7-18-36(29)50-37)41-31(33-20-22-44-47-46-33)14-9-17-35(41)49(43)48-23-21-27-10-2-6-16-34(27)48/h1-20,22,24-26,42,45H,21,23H2
InChIKeyVUMYJKJLWIAHSL-UHFFFAOYSA-N
XLogP9.85
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.82
LogP ≤ 59.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole with MolForge

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Related Compounds

CID 59358959
CID 59358959
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
5-Dibenzofuran-2-yl-8-[8-(1,2-dihydropyridin-2-yl)dibenzothiophen-2-yl]pyrido[4,3-b]indole
CID 117900825
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-[[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
N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-2-phenylpyrazolo[1,5-b]isoquinolin-3-amine
CID 129040476
(8-Carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)silane
CID 140811458
(8-Carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane
CID 140811609
5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)isoquinoline
CID 140968611
5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
CID 140978008

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole?
The IUPAC name of 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole (CID 141145263) is 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole is c1ccc2c(c1)CCN2N1c2cccc(-c3ccnnn3)c2C(c2cc3ccccc3o2)C1(c1cc2ccccc2[nH]1)c1cc2ccccc2s1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole?
The InChIKey is VUMYJKJLWIAHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N6OS/c1-5-15-32-28(11-1)25-39(45-32)43(40-26-30-13-4-8-19-38(30)51-40)42(37-24-29-12-3-7-18-36(29)50-37)41-31(33-20-22-44-47-46-33)14-9-17-35(41)49(43)48-23-21-27-10-2-6-16-34(27)48/h1-20,22,24-26,42,45H,21,23H2.
What are the key properties of 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole?
3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole has a molecular weight of 678.82 g/mol, XLogP of 9.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole is sourced from PubChem (CID 141145263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).