2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol

C51H38N4O — CID 153280522

IUPAC2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2O)nc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(N(c3ccccn3)c3cccc4ccccc34)c2)n1
InChIInChI=1S/C51H38N4O/c1-34-14-12-15-35(2)50(34)46-33-45(44-21-8-9-23-48(44)56)53-51(54-46)41-30-40(38-27-25-37(26-28-38)36-16-4-3-5-17-36)31-42(32-41)55(49-24-10-11-29-52-49)47-22-13-19-39-18-6-7-20-43(39)47/h3-33,56H,1-2H3
InChIKeyILYLBDNHZTTWPQ-UHFFFAOYSA-N
MW722.89 g/mol
LogP13.15
Rot. Bonds8

About 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol

2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol (PubChem CID 153280522) has the molecular formula C51H38N4O and a molecular weight of 722.89 g/mol. Its IUPAC name is 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol
PubChem CID153280522
Molecular FormulaC51H38N4O
Molecular Weight722.89 g/mol
Exact Mass722.30
IUPAC Name2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol
SMILESCc1cccc(C)c1-c1cc(-c2ccccc2O)nc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(N(c3ccccn3)c3cccc4ccccc34)c2)n1
InChIInChI=1S/C51H38N4O/c1-34-14-12-15-35(2)50(34)46-33-45(44-21-8-9-23-48(44)56)53-51(54-46)41-30-40(38-27-25-37(26-28-38)36-16-4-3-5-17-36)31-42(32-41)55(49-24-10-11-29-52-49)47-22-13-19-39-18-6-7-20-43(39)47/h3-33,56H,1-2H3
InChIKeyILYLBDNHZTTWPQ-UHFFFAOYSA-N
XLogP13.15
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 513.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280278
2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
CID 153304154
2-[6-[2-[naphthalen-1-yl(pyridin-2-yl)amino]dibenzothiophen-4-yl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 140846298
2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol
CID 155627594
N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390674
2,4-ditert-butyl-6-[2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenylpyrimidin-4-yl]phenol
CID 153280498
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873721
2-[4-(3,5-ditert-butylphenyl)-6-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159418074
N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 58028696
9,10-dimethyl-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-ylanthracene-2,6-diamine
CID 58855180

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol (CID 153280522) is 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol is Cc1cccc(C)c1-c1cc(-c2ccccc2O)nc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(N(c3ccccn3)c3cccc4ccccc34)c2)n1.
What is the InChIKey of 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol?
The InChIKey is ILYLBDNHZTTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N4O/c1-34-14-12-15-35(2)50(34)46-33-45(44-21-8-9-23-48(44)56)53-51(54-46)41-30-40(38-27-25-37(26-28-38)36-16-4-3-5-17-36)31-42(32-41)55(49-24-10-11-29-52-49)47-22-13-19-39-18-6-7-20-43(39)47/h3-33,56H,1-2H3.
What are the key properties of 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol?
2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol has a molecular weight of 722.89 g/mol, XLogP of 13.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 153280522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).