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

C40H30N4O2 — CID 2835727

IUPACN-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C1(c3ccccc3)Nc3ccc(NC(=O)c4ccccc4)cc3C1(c1ccccc1)N2)c1ccccc1
InChIInChI=1S/C40H30N4O2/c45-37(27-13-5-1-6-14-27)41-31-21-23-35-33(25-31)39(29-17-9-3-10-18-29)40(43-35,30-19-11-4-12-20-30)34-26-32(22-24-36(34)44-39)42-38(46)28-15-7-2-8-16-28/h1-26,43-44H,(H,41,45)(H,42,46)
InChIKeyFNHCKZWSVIHVJY-UHFFFAOYSA-N
MW598.71 g/mol
LogP8.23
Rot. Bonds6

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

N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide (PubChem CID 2835727) has the molecular formula C40H30N4O2 and a molecular weight of 598.71 g/mol. Its IUPAC name is N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide.

Molecular Properties

Compound NameN-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide
PubChem CID2835727
Molecular FormulaC40H30N4O2
Molecular Weight598.71 g/mol
Exact Mass598.24
IUPAC NameN-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C1(c3ccccc3)Nc3ccc(NC(=O)c4ccccc4)cc3C1(c1ccccc1)N2)c1ccccc1
InChIInChI=1S/C40H30N4O2/c45-37(27-13-5-1-6-14-27)41-31-21-23-35-33(25-31)39(29-17-9-3-10-18-29)40(43-35,30-19-11-4-12-20-30)34-26-32(22-24-36(34)44-39)42-38(46)28-15-7-2-8-16-28/h1-26,43-44H,(H,41,45)(H,42,46)
InChIKeyFNHCKZWSVIHVJY-UHFFFAOYSA-N
XLogP8.23
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 58.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide
CID 3885852
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
(4-benzamidophenyl)carbamic acid
CID 18543096
N-(8-benzamidothianthren-2-yl)benzamide
CID 19906687
N-[3-(1-hydroxycyclopentyl)phenyl]benzamide
CID 176725506
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
[5-benzamido-3-(cyanomethyl)-2-oxo-1H-indol-3-yl] acetate
CID 142598912
molecular hydrogen;N-phenylbenzamide
CID 145238042
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide?
The IUPAC name of N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide (CID 2835727) is N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide.
What is the SMILES notation for N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide?
The canonical SMILES for N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide is O=C(Nc1ccc2c(c1)C1(c3ccccc3)Nc3ccc(NC(=O)c4ccccc4)cc3C1(c1ccccc1)N2)c1ccccc1.
What is the InChIKey of N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide?
The InChIKey is FNHCKZWSVIHVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O2/c45-37(27-13-5-1-6-14-27)41-31-21-23-35-33(25-31)39(29-17-9-3-10-18-29)40(43-35,30-19-11-4-12-20-30)34-26-32(22-24-36(34)44-39)42-38(46)28-15-7-2-8-16-28/h1-26,43-44H,(H,41,45)(H,42,46).
What are the key properties of N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide?
N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide has a molecular weight of 598.71 g/mol, XLogP of 8.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl)benzamide is sourced from PubChem (CID 2835727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).