(1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine

C40H40NP — CID 46862687

IUPAC(1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)N([C@@H](C)c2ccc3ccccc3c2)[C@@H](C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C40H40NP/c1-27-19-28(2)22-39(21-27)42(40-23-29(3)20-30(4)24-40)41(31(5)35-17-15-33-11-7-9-13-37(33)25-35)32(6)36-18-16-34-12-8-10-14-38(34)26-36/h7-26,31-32H,1-6H3/t31-,32-/m0/s1
InChIKeySOFLODKAYPFAJE-ACHIHNKUSA-N
MW565.74 g/mol
LogP10.40
Rot. Bonds7

About (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine

(1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine (PubChem CID 46862687) has the molecular formula C40H40NP and a molecular weight of 565.74 g/mol. Its IUPAC name is (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
PubChem CID46862687
Molecular FormulaC40H40NP
Molecular Weight565.74 g/mol
Exact Mass565.29
IUPAC Name(1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)N([C@@H](C)c2ccc3ccccc3c2)[C@@H](C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C40H40NP/c1-27-19-28(2)22-39(21-27)42(40-23-29(3)20-30(4)24-40)41(31(5)35-17-15-33-11-7-9-13-37(33)25-35)32(6)36-18-16-34-12-8-10-14-38(34)26-36/h7-26,31-32H,1-6H3/t31-,32-/m0/s1
InChIKeySOFLODKAYPFAJE-ACHIHNKUSA-N
XLogP10.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.74
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-methyl(1-naphthyl)-N-(1-naphthylmethyl)methanamine
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13,13-Dibutyl-10,16-bis(3,4,5-trifluorophenyl)-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;bromide
CID 11445600
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CID 44422349
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CID 44423441
1-Methyl-4-[2-[4-(4-naphthalen-1-ylbutyl)piperazin-1-yl]-1-(4-phenylphenyl)ethyl]piperazine
CID 44423443

Frequently Asked Questions

What is the IUPAC name of (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The IUPAC name of (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine (CID 46862687) is (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine.
What is the SMILES notation for (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The canonical SMILES for (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)N([C@@H](C)c2ccc3ccccc3c2)[C@@H](C)c2ccc3ccccc3c2)c1.
What is the InChIKey of (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The InChIKey is SOFLODKAYPFAJE-ACHIHNKUSA-N. The full InChI is InChI=1S/C40H40NP/c1-27-19-28(2)22-39(21-27)42(40-23-29(3)20-30(4)24-40)41(31(5)35-17-15-33-11-7-9-13-37(33)25-35)32(6)36-18-16-34-12-8-10-14-38(34)26-36/h7-26,31-32H,1-6H3/t31-,32-/m0/s1.
What are the key properties of (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
(1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine has a molecular weight of 565.74 g/mol, XLogP of 10.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-bis(3,5-dimethylphenyl)phosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine is sourced from PubChem (CID 46862687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).