N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine

C44H32N2 — CID 20768585

IUPACN,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccccc3c2-c2c(N(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32N2/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/h1-32H
InChIKeyZXBBAMSYURBXPQ-UHFFFAOYSA-N
MW588.75 g/mol
LogP12.60
Rot. Bonds7

About N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine

N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine (PubChem CID 20768585) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine
PubChem CID20768585
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC NameN,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccccc3c2-c2c(N(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32N2/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/h1-32H
InChIKeyZXBBAMSYURBXPQ-UHFFFAOYSA-N
XLogP12.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine?
The IUPAC name of N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine (CID 20768585) is N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine.
What is the SMILES notation for N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine?
The canonical SMILES for N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine is c1ccc(N(c2ccccc2)c2ccc3ccccc3c2-c2c(N(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine?
The InChIKey is ZXBBAMSYURBXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/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/h1-32H.
What are the key properties of N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine?
N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine has a molecular weight of 588.75 g/mol, XLogP of 12.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-1-[2-(N-phenylanilino)naphthalen-1-yl]naphthalen-2-amine is sourced from PubChem (CID 20768585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).