N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline

C51H42N4 — CID 20720482

IUPACN,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline
SMILESCc1cc(N(c2cc(C)c(-c3cccc4cccnc34)cc2C)c2cc(C)c(-c3cccc4cccnc34)cc2C)c(C)cc1-c1cccc2cccnc12
InChIInChI=1S/C51H42N4/c1-31-28-46(34(4)25-43(31)40-19-7-13-37-16-10-22-52-49(37)40)55(47-29-32(2)44(26-35(47)5)41-20-8-14-38-17-11-23-53-50(38)41)48-30-33(3)45(27-36(48)6)42-21-9-15-39-18-12-24-54-51(39)42/h7-30H,1-6H3
InChIKeyXAYUYZRYCOFCSQ-UHFFFAOYSA-N
MW710.93 g/mol
LogP13.65
Rot. Bonds6

About N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline

N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline (PubChem CID 20720482) has the molecular formula C51H42N4 and a molecular weight of 710.93 g/mol. Its IUPAC name is N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline.

Molecular Properties

Compound NameN,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline
PubChem CID20720482
Molecular FormulaC51H42N4
Molecular Weight710.93 g/mol
Exact Mass710.34
IUPAC NameN,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline
SMILESCc1cc(N(c2cc(C)c(-c3cccc4cccnc34)cc2C)c2cc(C)c(-c3cccc4cccnc34)cc2C)c(C)cc1-c1cccc2cccnc12
InChIInChI=1S/C51H42N4/c1-31-28-46(34(4)25-43(31)40-19-7-13-37-16-10-22-52-49(37)40)55(47-29-32(2)44(26-35(47)5)41-20-8-14-38-17-11-23-53-50(38)41)48-30-33(3)45(27-36(48)6)42-21-9-15-39-18-12-24-54-51(39)42/h7-30H,1-6H3
InChIKeyXAYUYZRYCOFCSQ-UHFFFAOYSA-N
XLogP13.65
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.93
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline?
The IUPAC name of N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline (CID 20720482) is N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline.
What is the SMILES notation for N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline?
The canonical SMILES for N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline is Cc1cc(N(c2cc(C)c(-c3cccc4cccnc34)cc2C)c2cc(C)c(-c3cccc4cccnc34)cc2C)c(C)cc1-c1cccc2cccnc12.
What is the InChIKey of N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline?
The InChIKey is XAYUYZRYCOFCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N4/c1-31-28-46(34(4)25-43(31)40-19-7-13-37-16-10-22-52-49(37)40)55(47-29-32(2)44(26-35(47)5)41-20-8-14-38-17-11-23-53-50(38)41)48-30-33(3)45(27-36(48)6)42-21-9-15-39-18-12-24-54-51(39)42/h7-30H,1-6H3.
What are the key properties of N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline?
N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline has a molecular weight of 710.93 g/mol, XLogP of 13.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,5-dimethyl-4-quinolin-8-ylphenyl)-2,5-dimethyl-4-quinolin-8-ylaniline is sourced from PubChem (CID 20720482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).