2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine

C44H36N4O — CID 156667515

IUPAC2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2nc(-c3ccc(C)c4c3oc3nc(-c5c(C)cccc5C)ccc34)n(-c3c(C(C)C)c4ccccc4c4ccccc34)c2cn1
InChIInChI=1S/C44H36N4O/c1-24(2)38-31-16-9-7-14-29(31)30-15-8-10-17-32(30)41(38)48-37-23-45-28(6)22-36(37)46-43(48)34-19-18-27(5)40-33-20-21-35(47-44(33)49-42(34)40)39-25(3)12-11-13-26(39)4/h7-24H,1-6H3
InChIKeyIOPHBAIVUGNHQU-UHFFFAOYSA-N
MW636.80 g/mol
LogP11.71
Rot. Bonds4

About 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine

2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 156667515) has the molecular formula C44H36N4O and a molecular weight of 636.80 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID156667515
Molecular FormulaC44H36N4O
Molecular Weight636.80 g/mol
Exact Mass636.29
IUPAC Name2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2nc(-c3ccc(C)c4c3oc3nc(-c5c(C)cccc5C)ccc34)n(-c3c(C(C)C)c4ccccc4c4ccccc34)c2cn1
InChIInChI=1S/C44H36N4O/c1-24(2)38-31-16-9-7-14-29(31)30-15-8-10-17-32(30)41(38)48-37-23-45-28(6)22-36(37)46-43(48)34-19-18-27(5)40-33-20-21-35(47-44(33)49-42(34)40)39-25(3)12-11-13-26(39)4/h7-24H,1-6H3
InChIKeyIOPHBAIVUGNHQU-UHFFFAOYSA-N
XLogP11.71
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668870
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668354
8-[1-(4-tert-butylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156670671
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 155611770
2,4-dimethyl-7-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670735
1,3,5-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 156667608
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156668797
2,5-dimethyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166498770
iridium;5-methyl-2-phenyl-8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156669830
5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155610853

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 156667515) is 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1cc2nc(-c3ccc(C)c4c3oc3nc(-c5c(C)cccc5C)ccc34)n(-c3c(C(C)C)c4ccccc4c4ccccc34)c2cn1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is IOPHBAIVUGNHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N4O/c1-24(2)38-31-16-9-7-14-29(31)30-15-8-10-17-32(30)41(38)48-37-23-45-28(6)22-36(37)46-43(48)34-19-18-27(5)40-33-20-21-35(47-44(33)49-42(34)40)39-25(3)12-11-13-26(39)4/h7-24H,1-6H3.
What are the key properties of 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine?
2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 636.80 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156667515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).