3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide

C59H50N4O2P2 — CID 102359066

IUPAC3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide
SMILESCCC(c1[nH]c2c(NC(=O)c3cccc(P(c4ccccc4)c4ccccc4)c3)cccc2c1C)c1[nH]c2c(NC(=O)c3cccc(P(c4ccccc4)c4ccccc4)c3)cccc2c1C
InChIInChI=1S/C59H50N4O2P2/c1-4-49(54-39(2)50-33-19-35-52(56(50)62-54)60-58(64)41-21-17-31-47(37-41)66(43-23-9-5-10-24-43)44-25-11-6-12-26-44)55-40(3)51-34-20-36-53(57(51)63-55)61-59(65)42-22-18-32-48(38-42)67(45-27-13-7-14-28-45)46-29-15-8-16-30-46/h5-38,49,62-63H,4H2,1-3H3,(H,60,64)(H,61,65)
InChIKeyVXIZNDRZWVVVAZ-UHFFFAOYSA-N
MW909.02 g/mol
LogP11.83
Rot. Bonds13

About 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide

3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide (PubChem CID 102359066) has the molecular formula C59H50N4O2P2 and a molecular weight of 909.02 g/mol. Its IUPAC name is 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide.

Molecular Properties

Compound Name3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide
PubChem CID102359066
Molecular FormulaC59H50N4O2P2
Molecular Weight909.02 g/mol
Exact Mass908.34
IUPAC Name3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide
SMILESCCC(c1[nH]c2c(NC(=O)c3cccc(P(c4ccccc4)c4ccccc4)c3)cccc2c1C)c1[nH]c2c(NC(=O)c3cccc(P(c4ccccc4)c4ccccc4)c3)cccc2c1C
InChIInChI=1S/C59H50N4O2P2/c1-4-49(54-39(2)50-33-19-35-52(56(50)62-54)60-58(64)41-21-17-31-47(37-41)66(43-23-9-5-10-24-43)44-25-11-6-12-26-44)55-40(3)51-34-20-36-53(57(51)63-55)61-59(65)42-22-18-32-48(38-42)67(45-27-13-7-14-28-45)46-29-15-8-16-30-46/h5-38,49,62-63H,4H2,1-3H3,(H,60,64)(H,61,65)
InChIKeyVXIZNDRZWVVVAZ-UHFFFAOYSA-N
XLogP11.83
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.02
LogP ≤ 511.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide?
The IUPAC name of 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide (CID 102359066) is 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide.
What is the SMILES notation for 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide?
The canonical SMILES for 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide is CCC(c1[nH]c2c(NC(=O)c3cccc(P(c4ccccc4)c4ccccc4)c3)cccc2c1C)c1[nH]c2c(NC(=O)c3cccc(P(c4ccccc4)c4ccccc4)c3)cccc2c1C.
What is the InChIKey of 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide?
The InChIKey is VXIZNDRZWVVVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50N4O2P2/c1-4-49(54-39(2)50-33-19-35-52(56(50)62-54)60-58(64)41-21-17-31-47(37-41)66(43-23-9-5-10-24-43)44-25-11-6-12-26-44)55-40(3)51-34-20-36-53(57(51)63-55)61-59(65)42-22-18-32-48(38-42)67(45-27-13-7-14-28-45)46-29-15-8-16-30-46/h5-38,49,62-63H,4H2,1-3H3,(H,60,64)(H,61,65).
What are the key properties of 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide?
3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide has a molecular weight of 909.02 g/mol, XLogP of 11.83, 13 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide is sourced from PubChem (CID 102359066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).