(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine

C30H33NP- — CID 89306191

IUPAC(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2[cH-]ccc2[C@@H](c2ccccc2)N(C)C)c1
InChIInChI=1S/C30H33NP/c1-21-15-22(2)18-26(17-21)32(27-19-23(3)16-24(4)20-27)29-14-10-13-28(29)30(31(5)6)25-11-8-7-9-12-25/h7-20,30H,1-6H3/q-1/t30-/m1/s1
InChIKeyRWPSYPWRPOHJAS-SSEXGKCCSA-N
MW438.58 g/mol
LogP6.05
Rot. Bonds6

About (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine

(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine (PubChem CID 89306191) has the molecular formula C30H33NP- and a molecular weight of 438.58 g/mol. Its IUPAC name is (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine
PubChem CID89306191
Molecular FormulaC30H33NP-
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2[cH-]ccc2[C@@H](c2ccccc2)N(C)C)c1
InChIInChI=1S/C30H33NP/c1-21-15-22(2)18-26(17-21)32(27-19-23(3)16-24(4)20-27)29-14-10-13-28(29)30(31(5)6)25-11-8-7-9-12-25/h7-20,30H,1-6H3/q-1/t30-/m1/s1
InChIKeyRWPSYPWRPOHJAS-SSEXGKCCSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine (CID 89306191) is (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2[cH-]ccc2[C@@H](c2ccccc2)N(C)C)c1.
What is the InChIKey of (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is RWPSYPWRPOHJAS-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H33NP/c1-21-15-22(2)18-26(17-21)32(27-19-23(3)16-24(4)20-27)29-14-10-13-28(29)30(31(5)6)25-11-8-7-9-12-25/h7-20,30H,1-6H3/q-1/t30-/m1/s1.
What are the key properties of (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine?
(1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 438.58 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 89306191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).