2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol

C37H24N4O2 — CID 140873721

IUPAC2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2cccc(N(c3ccccn3)c3cccc4ccccc34)c2)c2oc3ccccc3c2n1
InChIInChI=1S/C37H24N4O2/c42-31-19-5-3-16-28(31)37-39-34(36-35(40-37)29-17-4-6-20-32(29)43-36)25-13-9-14-26(23-25)41(33-21-7-8-22-38-33)30-18-10-12-24-11-1-2-15-27(24)30/h1-23,42H
InChIKeyDTMOAGADNFLLQM-UHFFFAOYSA-N
MW556.63 g/mol
LogP9.43
Rot. Bonds5

About 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol

2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 140873721) has the molecular formula C37H24N4O2 and a molecular weight of 556.63 g/mol. Its IUPAC name is 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
PubChem CID140873721
Molecular FormulaC37H24N4O2
Molecular Weight556.63 g/mol
Exact Mass556.19
IUPAC Name2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2cccc(N(c3ccccn3)c3cccc4ccccc34)c2)c2oc3ccccc3c2n1
InChIInChI=1S/C37H24N4O2/c42-31-19-5-3-16-28(31)37-39-34(36-35(40-37)29-17-4-6-20-32(29)43-36)25-13-9-14-26(23-25)41(33-21-7-8-22-38-33)30-18-10-12-24-11-1-2-15-27(24)30/h1-23,42H
InChIKeyDTMOAGADNFLLQM-UHFFFAOYSA-N
XLogP9.43
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-(2-methylpropyl)-5-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873898
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280278
2,4-ditert-butyl-6-[4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140874072
2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140874084
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine
CID 118312450
5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167599561
2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol
CID 140874002
4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818388
N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412431
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum
CID 159004996

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol (CID 140873721) is 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol is Oc1ccccc1-c1nc(-c2cccc(N(c3ccccn3)c3cccc4ccccc34)c2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is DTMOAGADNFLLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4O2/c42-31-19-5-3-16-28(31)37-39-34(36-35(40-37)29-17-4-6-20-32(29)43-36)25-13-9-14-26(23-25)41(33-21-7-8-22-38-33)30-18-10-12-24-11-1-2-15-27(24)30/h1-23,42H.
What are the key properties of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol?
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 556.63 g/mol, XLogP of 9.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 140873721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).