6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol

C50H50N2O — CID 158597422

IUPAC6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol
SMILESCC(C)c1cc(-c2ccc(O)c3c2Cc2ccc(-c4cccc5c4N=C(c4ccccc4)C5c4c(C(C)C)cccc4C(C)C)nc2-3)cc(C(C)C)c1
InChIInChI=1S/C50H50N2O/c1-28(2)34-24-35(29(3)4)26-36(25-34)39-21-23-44(53)46-42(39)27-33-20-22-43(51-49(33)46)40-18-13-19-41-47(48(52-50(40)41)32-14-10-9-11-15-32)45-37(30(5)6)16-12-17-38(45)31(7)8/h9-26,28-31,47,53H,27H2,1-8H3
InChIKeyNMRCWAAOSIVVSS-UHFFFAOYSA-N
MW694.96 g/mol
LogP13.45
Rot. Bonds8

About 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol

6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol (PubChem CID 158597422) has the molecular formula C50H50N2O and a molecular weight of 694.96 g/mol. Its IUPAC name is 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol.

Molecular Properties

Compound Name6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol
PubChem CID158597422
Molecular FormulaC50H50N2O
Molecular Weight694.96 g/mol
Exact Mass694.39
IUPAC Name6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol
SMILESCC(C)c1cc(-c2ccc(O)c3c2Cc2ccc(-c4cccc5c4N=C(c4ccccc4)C5c4c(C(C)C)cccc4C(C)C)nc2-3)cc(C(C)C)c1
InChIInChI=1S/C50H50N2O/c1-28(2)34-24-35(29(3)4)26-36(25-34)39-21-23-44(53)46-42(39)27-33-20-22-43(51-49(33)46)40-18-13-19-41-47(48(52-50(40)41)32-14-10-9-11-15-32)45-37(30(5)6)16-12-17-38(45)31(7)8/h9-26,28-31,47,53H,27H2,1-8H3
InChIKeyNMRCWAAOSIVVSS-UHFFFAOYSA-N
XLogP13.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.96
LogP ≤ 513.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol with MolForge

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Related Compounds

2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol
CID 162004985
2-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-5H-indeno[1,2-b]pyridin-9-ol;2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol;3-[6-[3-(3H-indol-2-yl)benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;2-[3-(2-phenyl-3H-indol-7-yl)-6-propan-2-ylisoquinolin-1-yl]phenol;3-[6-(2-phenyl-3H-indol-7-yl)-2-pyridinyl]naphthalen-2-ol;platinum
CID 161282945
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-phenyl-3-propan-2-ylphenol
CID 54177325
1-(2,6-diphenylphenyl)-2-(8-propan-2-yl-9H-fluoren-3-yl)imidazole
CID 157071035
2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol
CID 151547134
4-(3-propan-2-ylphenyl)benzene-1,2,3-triol
CID 54086039
4-(2-propan-2-ylphenyl)-2-(4-propan-2-ylphenyl)phenol
CID 101384049
2-[4-[4-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-3H-dibenzofuran-3-id-2-yl]-1-(2,6-dimethylphenyl)-5-(2,6-diphenylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol;platinum
CID 171734311
2-[3-[5-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241569
triphenyl-[4-(15-phenyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-6-yl)phenyl]-λ4-sulfane
CID 134172435
2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol
CID 158253401

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol?
The IUPAC name of 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol (CID 158597422) is 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol.
What is the SMILES notation for 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol?
The canonical SMILES for 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol is CC(C)c1cc(-c2ccc(O)c3c2Cc2ccc(-c4cccc5c4N=C(c4ccccc4)C5c4c(C(C)C)cccc4C(C)C)nc2-3)cc(C(C)C)c1.
What is the InChIKey of 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol?
The InChIKey is NMRCWAAOSIVVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50N2O/c1-28(2)34-24-35(29(3)4)26-36(25-34)39-21-23-44(53)46-42(39)27-33-20-22-43(51-49(33)46)40-18-13-19-41-47(48(52-50(40)41)32-14-10-9-11-15-32)45-37(30(5)6)16-12-17-38(45)31(7)8/h9-26,28-31,47,53H,27H2,1-8H3.
What are the key properties of 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol?
6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol has a molecular weight of 694.96 g/mol, XLogP of 13.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol is sourced from PubChem (CID 158597422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).