[3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol

C41H42N4O — CID 123316960

IUPAC[3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol
SMILESCc1cccc2c(C3Nc4cc(-c5ccc6c(c5)C(C)(C)C(c5c[nH]c7c(CO)cccc57)N6)ccc4C34CCCCC4)c[nH]c12
InChIInChI=1S/C41H42N4O/c1-24-9-7-11-28-31(22-42-36(24)28)39-41(17-5-4-6-18-41)32-15-13-26(20-35(32)45-39)25-14-16-34-33(19-25)40(2,3)38(44-34)30-21-43-37-27(23-46)10-8-12-29(30)37/h7-16,19-22,38-39,42-46H,4-6,17-18,23H2,1-3H3
InChIKeyVOWLTLBEPQBTOE-UHFFFAOYSA-N
MW606.81 g/mol
LogP9.93
Rot. Bonds4

About [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol

[3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol (PubChem CID 123316960) has the molecular formula C41H42N4O and a molecular weight of 606.81 g/mol. Its IUPAC name is [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol.

Molecular Properties

Compound Name[3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol
PubChem CID123316960
Molecular FormulaC41H42N4O
Molecular Weight606.81 g/mol
Exact Mass606.34
IUPAC Name[3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol
SMILESCc1cccc2c(C3Nc4cc(-c5ccc6c(c5)C(C)(C)C(c5c[nH]c7c(CO)cccc57)N6)ccc4C34CCCCC4)c[nH]c12
InChIInChI=1S/C41H42N4O/c1-24-9-7-11-28-31(22-42-36(24)28)39-41(17-5-4-6-18-41)32-15-13-26(20-35(32)45-39)25-14-16-34-33(19-25)40(2,3)38(44-34)30-21-43-37-27(23-46)10-8-12-29(30)37/h7-16,19-22,38-39,42-46H,4-6,17-18,23H2,1-3H3
InChIKeyVOWLTLBEPQBTOE-UHFFFAOYSA-N
XLogP9.93
TPSA75.87 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.81
LogP ≤ 59.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9682968, Example-5-10
CID 90467343
bis(5-methyl-1H-indol-3-yl)methanol
CID 53315759
(7-ethyl-1H-indol-3-yl)-(1H-indol-3-yl)methanol
CID 53315772
tris(7-ethyl-1H-indol-3-yl)methanol
CID 53315758
2-(5,6-difluoro-3H-inden-1-yl)-6-methylquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 157712586
2-(5,6-difluoro-3H-inden-1-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;bis(3-(7-methyl-1H-indol-3-yl)quinoline)
CID 159686413
2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 160490904
2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;3-(7-methyl-1H-indol-3-yl)quinoline
CID 160849223
2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline);[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 161411202
[4-[10,20-Bis(3,5-ditert-butylphenyl)-15-[4-(hydroxymethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanol
CID 139255397
CID 168346729
CID 168346729
[(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol
CID 162820487

Frequently Asked Questions

What is the IUPAC name of [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol?
The IUPAC name of [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol (CID 123316960) is [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol.
What is the SMILES notation for [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol?
The canonical SMILES for [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol is Cc1cccc2c(C3Nc4cc(-c5ccc6c(c5)C(C)(C)C(c5c[nH]c7c(CO)cccc57)N6)ccc4C34CCCCC4)c[nH]c12.
What is the InChIKey of [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol?
The InChIKey is VOWLTLBEPQBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N4O/c1-24-9-7-11-28-31(22-42-36(24)28)39-41(17-5-4-6-18-41)32-15-13-26(20-35(32)45-39)25-14-16-34-33(19-25)40(2,3)38(44-34)30-21-43-37-27(23-46)10-8-12-29(30)37/h7-16,19-22,38-39,42-46H,4-6,17-18,23H2,1-3H3.
What are the key properties of [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol?
[3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol has a molecular weight of 606.81 g/mol, XLogP of 9.93, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,3-dimethyl-5-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]-6-yl]-1,2-dihydroindol-2-yl]-1H-indol-7-yl]methanol is sourced from PubChem (CID 123316960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).