2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol

C35H26N4O2 — CID 140874002

IUPAC2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol
SMILESCc1ccnc(C)c1N(c1cccc(-c2cc3c(oc4ccccc43)c(-c3ccccc3O)n2)c1)c1ccccn1
InChIInChI=1S/C35H26N4O2/c1-22-17-19-36-23(2)34(22)39(32-16-7-8-18-37-32)25-11-9-10-24(20-25)29-21-28-26-12-4-6-15-31(26)41-35(28)33(38-29)27-13-3-5-14-30(27)40/h3-21,40H,1-2H3
InChIKeyJOPLGRBZXUVXMD-UHFFFAOYSA-N
MW534.62 g/mol
LogP8.90
Rot. Bonds5

About 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol

2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol (PubChem CID 140874002) has the molecular formula C35H26N4O2 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol.

Molecular Properties

Compound Name2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol
PubChem CID140874002
Molecular FormulaC35H26N4O2
Molecular Weight534.62 g/mol
Exact Mass534.21
IUPAC Name2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol
SMILESCc1ccnc(C)c1N(c1cccc(-c2cc3c(oc4ccccc43)c(-c3ccccc3O)n2)c1)c1ccccn1
InChIInChI=1S/C35H26N4O2/c1-22-17-19-36-23(2)34(22)39(32-16-7-8-18-37-32)25-11-9-10-24(20-25)29-21-28-26-12-4-6-15-31(26)41-35(28)33(38-29)27-13-3-5-14-30(27)40/h3-21,40H,1-2H3
InChIKeyJOPLGRBZXUVXMD-UHFFFAOYSA-N
XLogP8.90
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
CID 153304154
2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol
CID 140906000
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873721
4-phenyl-2-[4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]-1,3-benzothiazol-2-yl]phenol
CID 140906031
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
2,4-ditert-butyl-6-[2-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol
CID 140874050
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-[6-[3-[anthracen-9-yl(pyridin-2-yl)amino]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 136600920
N-dibenzofuran-4-yl-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-2-amine
CID 118312450
2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-1-methylbenzimidazol-2-yl]phenol
CID 140902945
2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyridin-1-yl]phenol;2-[3-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyridin-1-yl]phenol;bis(2-[3-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyridin-1-yl]phenol);platinum
CID 158626987
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol?
The IUPAC name of 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol (CID 140874002) is 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol.
What is the SMILES notation for 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol?
The canonical SMILES for 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol is Cc1ccnc(C)c1N(c1cccc(-c2cc3c(oc4ccccc43)c(-c3ccccc3O)n2)c1)c1ccccn1.
What is the InChIKey of 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol?
The InChIKey is JOPLGRBZXUVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4O2/c1-22-17-19-36-23(2)34(22)39(32-16-7-8-18-37-32)25-11-9-10-24(20-25)29-21-28-26-12-4-6-15-31(26)41-35(28)33(38-29)27-13-3-5-14-30(27)40/h3-21,40H,1-2H3.
What are the key properties of 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol?
2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol has a molecular weight of 534.62 g/mol, XLogP of 8.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol is sourced from PubChem (CID 140874002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).