2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol

C49H34N4O2 — CID 140906000

IUPAC2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol
SMILESCn1c(-c2cc(-c3ccccc3)ccc2O)nc2c(-c3nc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3ccccc34)cccc21
InChIInChI=1S/C49H34N4O2/c1-52-43-25-14-24-39(46(43)51-49(52)41-30-33(27-28-44(41)54)32-15-5-2-6-16-32)47-48-40(38-23-11-12-26-45(38)55-48)31-42(50-47)34-17-13-22-37(29-34)53(35-18-7-3-8-19-35)36-20-9-4-10-21-36/h2-31,54H,1H3
InChIKeyDEWVCUWOOSQYRX-UHFFFAOYSA-N
MW710.84 g/mol
LogP12.71
Rot. Bonds7

About 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol

2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol (PubChem CID 140906000) has the molecular formula C49H34N4O2 and a molecular weight of 710.84 g/mol. Its IUPAC name is 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol.

Molecular Properties

Compound Name2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol
PubChem CID140906000
Molecular FormulaC49H34N4O2
Molecular Weight710.84 g/mol
Exact Mass710.27
IUPAC Name2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol
SMILESCn1c(-c2cc(-c3ccccc3)ccc2O)nc2c(-c3nc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3ccccc34)cccc21
InChIInChI=1S/C49H34N4O2/c1-52-43-25-14-24-39(46(43)51-49(52)41-30-33(27-28-44(41)54)32-15-5-2-6-16-32)47-48-40(38-23-11-12-26-45(38)55-48)31-42(50-47)34-17-13-22-37(29-34)53(35-18-7-3-8-19-35)36-20-9-4-10-21-36/h2-31,54H,1H3
InChIKeyDEWVCUWOOSQYRX-UHFFFAOYSA-N
XLogP12.71
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.84
LogP ≤ 512.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol 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

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
2,4-ditert-butyl-6-[1-phenyl-4-[1-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-3-yl]benzimidazol-2-yl]phenol
CID 140906006
2-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol
CID 140874002
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140833006
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-3-[2-[4-[4-[4-[4-(2-carbazol-9-yl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]dibenzofuran-2-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 139544815
3-[4-[2-(4-benzyl-2-pyridinyl)dibenzofuran-4-yl]-1-methylbenzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164742926
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
3-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 118428387
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol?
The IUPAC name of 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol (CID 140906000) is 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol.
What is the SMILES notation for 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol?
The canonical SMILES for 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol is Cn1c(-c2cc(-c3ccccc3)ccc2O)nc2c(-c3nc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc4c3oc3ccccc34)cccc21.
What is the InChIKey of 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol?
The InChIKey is DEWVCUWOOSQYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O2/c1-52-43-25-14-24-39(46(43)51-49(52)41-30-33(27-28-44(41)54)32-15-5-2-6-16-32)47-48-40(38-23-11-12-26-45(38)55-48)31-42(50-47)34-17-13-22-37(29-34)53(35-18-7-3-8-19-35)36-20-9-4-10-21-36/h2-31,54H,1H3.
What are the key properties of 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol?
2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol has a molecular weight of 710.84 g/mol, XLogP of 12.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[3-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol is sourced from PubChem (CID 140906000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).