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

C52H48N4O2 — CID 177290520

IUPAC2-[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
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(-c2ccccc2O)nc(C(C)(C)c2cccc(-c3cc4oc5nc6c(cc5c4cn3)CC3(Cc4ccccc4C3)C6)n2)c1
InChIInChI=1S/C52H48N4O2/c1-30(2)36-16-11-17-37(31(3)4)49(36)34-22-42(38-15-9-10-19-45(38)57)55-48(23-34)51(5,6)47-20-12-18-41(54-47)43-24-46-40(29-53-43)39-21-35-27-52(28-44(35)56-50(39)58-46)25-32-13-7-8-14-33(32)26-52/h7-24,29-31,57H,25-28H2,1-6H3
InChIKeyPNSTXZFPHWVUAI-UHFFFAOYSA-N
MW760.98 g/mol
LogP12.33
Rot. Bonds7

About 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

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 (PubChem CID 177290520) has the molecular formula C52H48N4O2 and a molecular weight of 760.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID177290520
Molecular FormulaC52H48N4O2
Molecular Weight760.98 g/mol
Exact Mass760.38
IUPAC Name2-[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
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(-c2ccccc2O)nc(C(C)(C)c2cccc(-c3cc4oc5nc6c(cc5c4cn3)CC3(Cc4ccccc4C3)C6)n2)c1
InChIInChI=1S/C52H48N4O2/c1-30(2)36-16-11-17-37(31(3)4)49(36)34-22-42(38-15-9-10-19-45(38)57)55-48(23-34)51(5,6)47-20-12-18-41(54-47)43-24-46-40(29-53-43)39-21-35-27-52(28-44(35)56-50(39)58-46)25-32-13-7-8-14-33(32)26-52/h7-24,29-31,57H,25-28H2,1-6H3
InChIKeyPNSTXZFPHWVUAI-UHFFFAOYSA-N
XLogP12.33
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 512.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-[6-[3-([1]benzoselenolo[2,3-c]pyridin-3-yl)phenyl]-4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol
CID 176796221
3'-[6-(3-tert-butyl-5-phenylphenoxy)-2-pyridinyl]spiro[1,3-dihydroindene-2,13'-8-oxa-4,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,15-hexaene]
CID 164727548
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
2-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-6-[2-[6-[4,5-dimethyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 140855636
3-(3,5-ditert-butylphenyl)-6-[1-[4-[4-[3,5-di(propan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 176645812
8-[6-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 140742115
2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827731
2-[2,6-di(propan-2-yl)phenyl]-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827491
6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
CID 154728765
2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine
CID 140895963
3-fluoro-2-[2-methyl-8-(4-methylpiperazin-1-yl)-5-(2-propan-2-ylphenyl)pyrido[2,3-d]pyridazin-3-yl]phenol
CID 167076069
2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 159163151

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(C(C)C)c1-c1cc(-c2ccccc2O)nc(C(C)(C)c2cccc(-c3cc4oc5nc6c(cc5c4cn3)CC3(Cc4ccccc4C3)C6)n2)c1.
What is the InChIKey of 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?
The InChIKey is PNSTXZFPHWVUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N4O2/c1-30(2)36-16-11-17-37(31(3)4)49(36)34-22-42(38-15-9-10-19-45(38)57)55-48(23-34)51(5,6)47-20-12-18-41(54-47)43-24-46-40(29-53-43)39-21-35-27-52(28-44(35)56-50(39)58-46)25-32-13-7-8-14-33(32)26-52/h7-24,29-31,57H,25-28H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 760.98 g/mol, XLogP of 12.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177290520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).