2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide

C40H26Cl4N4O2 — CID 3885852

IUPAC2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C1(c3ccccc3)Nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3C1(c1ccccc1)N2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C40H26Cl4N4O2/c41-25-11-15-29(33(43)19-25)37(49)45-27-13-17-35-31(21-27)39(23-7-3-1-4-8-23)40(48-35,24-9-5-2-6-10-24)32-22-28(14-18-36(32)47-39)46-38(50)30-16-12-26(42)20-34(30)44/h1-22,47-48H,(H,45,49)(H,46,50)
InChIKeyBXVWLFJJLGLALZ-UHFFFAOYSA-N
MW736.49 g/mol
LogP10.84
Rot. Bonds6

About 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide

2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide (PubChem CID 3885852) has the molecular formula C40H26Cl4N4O2 and a molecular weight of 736.49 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide
PubChem CID3885852
Molecular FormulaC40H26Cl4N4O2
Molecular Weight736.49 g/mol
Exact Mass734.08
IUPAC Name2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C1(c3ccccc3)Nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3C1(c1ccccc1)N2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C40H26Cl4N4O2/c41-25-11-15-29(33(43)19-25)37(49)45-27-13-17-35-31(21-27)39(23-7-3-1-4-8-23)40(48-35,24-9-5-2-6-10-24)32-22-28(14-18-36(32)47-39)46-38(50)30-16-12-26(42)20-34(30)44/h1-22,47-48H,(H,45,49)(H,46,50)
InChIKeyBXVWLFJJLGLALZ-UHFFFAOYSA-N
XLogP10.84
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.49
LogP ≤ 510.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
N-[(4bR,9bR)-5,10-diacetyl-7-(2,4-dichlorobenzoyl)-4b,9b-diphenylindolo[3,2-b]indol-2-yl]-2,4-dichlorobenzamide
CID 99651626
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide
CID 142925205
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320601
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide (CID 3885852) is 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide is O=C(Nc1ccc2c(c1)C1(c3ccccc3)Nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3C1(c1ccccc1)N2)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide?
The InChIKey is BXVWLFJJLGLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26Cl4N4O2/c41-25-11-15-29(33(43)19-25)37(49)45-27-13-17-35-31(21-27)39(23-7-3-1-4-8-23)40(48-35,24-9-5-2-6-10-24)32-22-28(14-18-36(32)47-39)46-38(50)30-16-12-26(42)20-34(30)44/h1-22,47-48H,(H,45,49)(H,46,50).
What are the key properties of 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide?
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide has a molecular weight of 736.49 g/mol, XLogP of 10.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide is sourced from PubChem (CID 3885852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).