(1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine

C53H57NP2 — CID 101163703

IUPAC(1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine
SMILESCc1cc(C)cc(P(C2=CC=CC2C(c2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)N(C)[C@H](C)c2ccccc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C53H57NP2/c1-35-23-36(2)28-45(27-35)55(46-29-37(3)24-38(4)30-46)51-21-15-14-19-49(51)53(54(10)43(9)44-17-12-11-13-18-44)50-20-16-22-52(50)56(47-31-39(5)25-40(6)32-47)48-33-41(7)26-42(8)34-48/h11-34,43,50,53H,1-10H3/t43-,50?,53?/m1/s1
InChIKeyIIMJXSCFQJTJPQ-ZBRHEOJQSA-N
MW769.99 g/mol
LogP11.85
Rot. Bonds11

About (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine

(1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine (PubChem CID 101163703) has the molecular formula C53H57NP2 and a molecular weight of 769.99 g/mol. Its IUPAC name is (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine
PubChem CID101163703
Molecular FormulaC53H57NP2
Molecular Weight769.99 g/mol
Exact Mass769.40
IUPAC Name(1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine
SMILESCc1cc(C)cc(P(C2=CC=CC2C(c2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)N(C)[C@H](C)c2ccccc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C53H57NP2/c1-35-23-36(2)28-45(27-35)55(46-29-37(3)24-38(4)30-46)51-21-15-14-19-49(51)53(54(10)43(9)44-17-12-11-13-18-44)50-20-16-22-52(50)56(47-31-39(5)25-40(6)32-47)48-33-41(7)26-42(8)34-48/h11-34,43,50,53H,1-10H3/t43-,50?,53?/m1/s1
InChIKeyIIMJXSCFQJTJPQ-ZBRHEOJQSA-N
XLogP11.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine with MolForge

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Related Compounds

N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-propylpropan-1-amine
CID 101163707
[2-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-pyrrolidin-1-ylmethyl]phenyl]-bis(3,5-dimethylphenyl)phosphane
CID 101163702
(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
CID 87708719
(1R)-N-bis(3,4-difluorophenyl)phosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 87794428
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
CID 87789367
N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393839
1-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-3-[(1R)-1-[(1S)-2-diphenylphosphanylcyclopenta-2,4-dien-1-yl]ethyl]thiourea
CID 118687818
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
CID 58819068
1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 141345883
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
[(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane
CID 138962112

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine?
The IUPAC name of (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine (CID 101163703) is (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine is Cc1cc(C)cc(P(C2=CC=CC2C(c2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)N(C)[C@H](C)c2ccccc2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine?
The InChIKey is IIMJXSCFQJTJPQ-ZBRHEOJQSA-N. The full InChI is InChI=1S/C53H57NP2/c1-35-23-36(2)28-45(27-35)55(46-29-37(3)24-38(4)30-46)51-21-15-14-19-49(51)53(54(10)43(9)44-17-12-11-13-18-44)50-20-16-22-52(50)56(47-31-39(5)25-40(6)32-47)48-33-41(7)26-42(8)34-48/h11-34,43,50,53H,1-10H3/t43-,50?,53?/m1/s1.
What are the key properties of (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine?
(1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine has a molecular weight of 769.99 g/mol, XLogP of 11.85, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine is sourced from PubChem (CID 101163703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).