N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine

C44H44NP — CID 139747462

IUPACN,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine
SMILESc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(N(C3CCCCC3)C3CCCCC3)ccc3ccccc23)cc1
InChIInChI=1S/C44H44NP/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h3-4,9-18,23-32,35-36H,1-2,5-8,19-22H2
InChIKeyVWCYGYUXHNZIBV-UHFFFAOYSA-N
MW617.82 g/mol
LogP10.89
Rot. Bonds7

About N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine

N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine (PubChem CID 139747462) has the molecular formula C44H44NP and a molecular weight of 617.82 g/mol. Its IUPAC name is N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine
PubChem CID139747462
Molecular FormulaC44H44NP
Molecular Weight617.82 g/mol
Exact Mass617.32
IUPAC NameN,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine
SMILESc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(N(C3CCCCC3)C3CCCCC3)ccc3ccccc23)cc1
InChIInChI=1S/C44H44NP/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h3-4,9-18,23-32,35-36H,1-2,5-8,19-22H2
InChIKeyVWCYGYUXHNZIBV-UHFFFAOYSA-N
XLogP10.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.82
LogP ≤ 510.89
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

dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 118856545
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane
CID 25146331
[1-(2-naphthalen-2-ylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 154437226
diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
CID 54759317
4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
CID 102082604
[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 21470378

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine?
The IUPAC name of N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine (CID 139747462) is N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine.
What is the SMILES notation for N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine?
The canonical SMILES for N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine is c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(N(C3CCCCC3)C3CCCCC3)ccc3ccccc23)cc1.
What is the InChIKey of N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine?
The InChIKey is VWCYGYUXHNZIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44NP/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h3-4,9-18,23-32,35-36H,1-2,5-8,19-22H2.
What are the key properties of N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine?
N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine has a molecular weight of 617.82 g/mol, XLogP of 10.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine is sourced from PubChem (CID 139747462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).