1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine

C30H39N4OP — CID 134475570

IUPAC1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine
SMILESC=C(NCCOP1N(C(C)C)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C(C)C)Nc1ccccc1
InChIInChI=1S/C30H39N4OP/c1-23(2)33-29(26-15-9-6-10-16-26)30(27-17-11-7-12-18-27)34(24(3)4)36(33)35-22-21-31-25(5)32-28-19-13-8-14-20-28/h6-20,23-24,29-32H,5,21-22H2,1-4H3/t29-,30-/m1/s1
InChIKeyXCNAIFQRBCYNMS-LOYHVIPDSA-N
MW502.64 g/mol
LogP7.32
Rot. Bonds11

About 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine

1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine (PubChem CID 134475570) has the molecular formula C30H39N4OP and a molecular weight of 502.64 g/mol. Its IUPAC name is 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine
PubChem CID134475570
Molecular FormulaC30H39N4OP
Molecular Weight502.64 g/mol
Exact Mass502.29
IUPAC Name1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine
SMILESC=C(NCCOP1N(C(C)C)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C(C)C)Nc1ccccc1
InChIInChI=1S/C30H39N4OP/c1-23(2)33-29(26-15-9-6-10-16-26)30(27-17-11-7-12-18-27)34(24(3)4)36(33)35-22-21-31-25(5)32-28-19-13-8-14-20-28/h6-20,23-24,29-32H,5,21-22H2,1-4H3/t29-,30-/m1/s1
InChIKeyXCNAIFQRBCYNMS-LOYHVIPDSA-N
XLogP7.32
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.64
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine with MolForge

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Related Compounds

1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-phenylthiourea
CID 134471354
1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea
CID 162008063
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]sulfanyl]ethyl]-3-methylthiourea
CID 134471111
N-[3-[1-[3-(1-anilinoethenylamino)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89383026
1-[2-[(1-ethyl-3-methyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea
CID 166839849
N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
CID 3607807
1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine
CID 142556397
N-(3-methylbut-1-en-2-yl)aniline
CID 135251792
N-phenyl-2-[2-(propan-2-ylamino)ethoxy]propanamide
CID 62343791
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine?
The IUPAC name of 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine (CID 134475570) is 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine.
What is the SMILES notation for 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine?
The canonical SMILES for 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine is C=C(NCCOP1N(C(C)C)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C(C)C)Nc1ccccc1.
What is the InChIKey of 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine?
The InChIKey is XCNAIFQRBCYNMS-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H39N4OP/c1-23(2)33-29(26-15-9-6-10-16-26)30(27-17-11-7-12-18-27)34(24(3)4)36(33)35-22-21-31-25(5)32-28-19-13-8-14-20-28/h6-20,23-24,29-32H,5,21-22H2,1-4H3/t29-,30-/m1/s1.
What are the key properties of 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine?
1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine has a molecular weight of 502.64 g/mol, XLogP of 7.32, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-1-N'-phenylethene-1,1-diamine is sourced from PubChem (CID 134475570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).