2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol

C55H51N3O2 — CID 164727482

IUPAC2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol
SMILESCc1cccc(C)c1-n1c(-c2ccccc2O)nc2c(Oc3cccc(-c4cccc(-c5c(C(C)C)cccc5C(C)C)c4)n3)cc3c(c21)CC1(Cc2ccccc2C1)C3
InChIInChI=1S/C55H51N3O2/c1-33(2)42-22-13-23-43(34(3)4)50(42)38-20-12-19-37(27-38)46-24-14-26-49(56-46)60-48-28-41-31-55(29-39-17-7-8-18-40(39)30-55)32-45(41)53-51(48)57-54(44-21-9-10-25-47(44)59)58(53)52-35(5)15-11-16-36(52)6/h7-28,33-34,59H,29-32H2,1-6H3
InChIKeyBJNWVISPTJFGBJ-UHFFFAOYSA-N
MW786.03 g/mol
LogP13.67
Rot. Bonds8

About 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol

2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol (PubChem CID 164727482) has the molecular formula C55H51N3O2 and a molecular weight of 786.03 g/mol. Its IUPAC name is 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol.

Molecular Properties

Compound Name2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol
PubChem CID164727482
Molecular FormulaC55H51N3O2
Molecular Weight786.03 g/mol
Exact Mass785.40
IUPAC Name2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol
SMILESCc1cccc(C)c1-n1c(-c2ccccc2O)nc2c(Oc3cccc(-c4cccc(-c5c(C(C)C)cccc5C(C)C)c4)n3)cc3c(c21)CC1(Cc2ccccc2C1)C3
InChIInChI=1S/C55H51N3O2/c1-33(2)42-22-13-23-43(34(3)4)50(42)38-20-12-19-37(27-38)46-24-14-26-49(56-46)60-48-28-41-31-55(29-39-17-7-8-18-40(39)30-55)32-45(41)53-51(48)57-54(44-21-9-10-25-47(44)59)58(53)52-35(5)15-11-16-36(52)6/h7-28,33-34,59H,29-32H2,1-6H3
InChIKeyBJNWVISPTJFGBJ-UHFFFAOYSA-N
XLogP13.67
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.03
LogP ≤ 513.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol with MolForge

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Related Compounds

4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol
CID 164727868
2-[6-[2-phenyl-1-(2-phenylphenyl)benzimidazol-4-yl]oxy-2-pyridinyl]-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)phenol;platinum
CID 164727608
2-[4-(3-pyridin-2-ylphenyl)-1-(2,2'-spirobi[1,3-dihydroindene]-5-yl)benzimidazol-2-yl]phenol
CID 164727607
2-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-(7-methylisoquinolin-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 171420114
2-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-(7-propan-2-ylisoquinolin-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 171420122
2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734335
2-[4-[2,6-di(propan-2-yl)phenyl]-6-[2-(6-spiro[1,3-dihydroindene-2,13'-8-oxa-4,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene]-5'-yl-2-pyridinyl)propan-2-yl]-2-pyridinyl]phenol
CID 177290520
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
CID 176796279
2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]phenyl]-1-[2-methyl-4-(2-phenyl-6-propan-2-ylphenyl)phenyl]benzimidazol-2-yl]phenol
CID 163891487
2-[4-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 171438742
2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
CID 159318889
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol?
The IUPAC name of 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol (CID 164727482) is 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol.
What is the SMILES notation for 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol?
The canonical SMILES for 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol is Cc1cccc(C)c1-n1c(-c2ccccc2O)nc2c(Oc3cccc(-c4cccc(-c5c(C(C)C)cccc5C(C)C)c4)n3)cc3c(c21)CC1(Cc2ccccc2C1)C3.
What is the InChIKey of 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol?
The InChIKey is BJNWVISPTJFGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H51N3O2/c1-33(2)42-22-13-23-43(34(3)4)50(42)38-20-12-19-37(27-38)46-24-14-26-49(56-46)60-48-28-41-31-55(29-39-17-7-8-18-40(39)30-55)32-45(41)53-51(48)57-54(44-21-9-10-25-47(44)59)58(53)52-35(5)15-11-16-36(52)6/h7-28,33-34,59H,29-32H2,1-6H3.
What are the key properties of 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol?
2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol has a molecular weight of 786.03 g/mol, XLogP of 13.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(2,6-dimethylphenyl)-4'-[[6-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,7'-6,8-dihydrocyclopenta[e]benzimidazole]-2'-yl]phenol is sourced from PubChem (CID 164727482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).