N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine

C44H34N2P2 — CID 4187663

IUPACN-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESc1ccc(P(Nc2ccc3ccccc3c2-c2c(NP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C44H34N2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32,45-46H
InChIKeyNRWZSRQDRSYPNW-UHFFFAOYSA-N
MW652.72 g/mol
LogP10.58
Rot. Bonds9

About N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine

N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine (PubChem CID 4187663) has the molecular formula C44H34N2P2 and a molecular weight of 652.72 g/mol. Its IUPAC name is N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine
PubChem CID4187663
Molecular FormulaC44H34N2P2
Molecular Weight652.72 g/mol
Exact Mass652.22
IUPAC NameN-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESc1ccc(P(Nc2ccc3ccccc3c2-c2c(NP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C44H34N2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32,45-46H
InChIKeyNRWZSRQDRSYPNW-UHFFFAOYSA-N
XLogP10.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.72
LogP ≤ 510.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Aminopyrene
CID 15352
6-Aminochrysene
CID 17534
9-Aminophenanthrene
CID 13695
Xylidine
CID 56846457
2-Aminopyrene
CID 107762
4-Aminopyrene
CID 119443
(+-)-1,1'-Binaphthyl-2,2'-diamine
CID 20571
3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine
CID 83166
2-Chrysenamine
CID 13092
1,6-Diaminopyrene
CID 146178
1,8-Diaminopyrene
CID 169139
1,3-Diaminopyrene
CID 13262724

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine?
The IUPAC name of N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine (CID 4187663) is N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine.
What is the SMILES notation for N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine?
The canonical SMILES for N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine is c1ccc(P(Nc2ccc3ccccc3c2-c2c(NP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine?
The InChIKey is NRWZSRQDRSYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32,45-46H.
What are the key properties of N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine?
N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine has a molecular weight of 652.72 g/mol, XLogP of 10.58, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)naphthalen-1-yl]naphthalen-2-amine is sourced from PubChem (CID 4187663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).