2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine

C37H25N3S — CID 164825932

IUPAC2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3nc(-c4ccccc4)ccc3n2-c2ccccc2)c2sc3cc(-c4ccccc4)ccc3c12
InChIInChI=1S/C37H25N3S/c1-24-17-19-30(35-34(24)29-20-18-27(23-33(29)41-35)25-11-5-2-6-12-25)37-39-36-32(40(37)28-15-9-4-10-16-28)22-21-31(38-36)26-13-7-3-8-14-26/h2-23H,1H3
InChIKeyKSZXGBILRBRBGL-UHFFFAOYSA-N
MW543.70 g/mol
LogP10.10
Rot. Bonds4

About 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine

2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine (PubChem CID 164825932) has the molecular formula C37H25N3S and a molecular weight of 543.70 g/mol. Its IUPAC name is 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine
PubChem CID164825932
Molecular FormulaC37H25N3S
Molecular Weight543.70 g/mol
Exact Mass543.18
IUPAC Name2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3nc(-c4ccccc4)ccc3n2-c2ccccc2)c2sc3cc(-c4ccccc4)ccc3c12
InChIInChI=1S/C37H25N3S/c1-24-17-19-30(35-34(24)29-20-18-27(23-33(29)41-35)25-11-5-2-6-12-25)37-39-36-32(40(37)28-15-9-4-10-16-28)22-21-31(38-36)26-13-7-3-8-14-26/h2-23H,1H3
InChIKeyKSZXGBILRBRBGL-UHFFFAOYSA-N
XLogP10.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.70
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[9-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzothiophen-3-yl]benzonitrile
CID 171435875
2-[1-methyl-7-[4-(trideuteriomethyl)phenyl]dibenzothiophen-4-yl]-1-[2-phenyl-4-(trifluoromethyl)phenyl]benzimidazole
CID 156657468
1-phenyl-2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]benzimidazole
CID 147237634
3-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 70660998
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 153460399
3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
CID 176854301
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453330
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
CID 155160087
4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 142491030
3-(4-methylnaphthalen-1-yl)-6,9-diphenylcarbazole
CID 156896770
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
12-(4,6-diphenylpyrimidin-2-yl)-5,9-diphenyl-23-thia-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
CID 118375912

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine (CID 164825932) is 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine is Cc1ccc(-c2nc3nc(-c4ccccc4)ccc3n2-c2ccccc2)c2sc3cc(-c4ccccc4)ccc3c12.
What is the InChIKey of 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine?
The InChIKey is KSZXGBILRBRBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3S/c1-24-17-19-30(35-34(24)29-20-18-27(23-33(29)41-35)25-11-5-2-6-12-25)37-39-36-32(40(37)28-15-9-4-10-16-28)22-21-31(38-36)26-13-7-3-8-14-26/h2-23H,1H3.
What are the key properties of 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine?
2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine has a molecular weight of 543.70 g/mol, XLogP of 10.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-7-phenyldibenzothiophen-4-yl)-1,5-diphenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 164825932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).