methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol

C50H64N4O2 — CID 157054039

IUPACmethane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol
SMILESC.Cc1c(C)c(C)c2c(ccn2C)c1C=O.Cc1c(CO)cc(C)c2c1ccn2C.Cc1cc(C)c2c(ccn2C)c1C.Cc1cc(C)c2c(ccn2C)c1C
InChIInChI=1S/C13H15NO.C12H15NO.2C12H15N.CH4/c1-8-9(2)12(7-15)11-5-6-14(4)13(11)10(8)3;1-8-6-10(7-14)9(2)11-4-5-13(3)12(8)11;2*1-8-7-9(2)12-11(10(8)3)5-6-13(12)4;/h5-7H,1-4H3;4-6,14H,7H2,1-3H3;2*5-7H,1-4H3;1H4
InChIKeyAANPUHBVBCOVTP-UHFFFAOYSA-N
MW753.09 g/mol
LogP12.05
Rot. Bonds2

About methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol

methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol (PubChem CID 157054039) has the molecular formula C50H64N4O2 and a molecular weight of 753.09 g/mol. Its IUPAC name is methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol.

Molecular Properties

Compound Namemethane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol
PubChem CID157054039
Molecular FormulaC50H64N4O2
Molecular Weight753.09 g/mol
Exact Mass752.50
IUPAC Namemethane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol
SMILESC.Cc1c(C)c(C)c2c(ccn2C)c1C=O.Cc1c(CO)cc(C)c2c1ccn2C.Cc1cc(C)c2c(ccn2C)c1C.Cc1cc(C)c2c(ccn2C)c1C
InChIInChI=1S/C13H15NO.C12H15NO.2C12H15N.CH4/c1-8-9(2)12(7-15)11-5-6-14(4)13(11)10(8)3;1-8-6-10(7-14)9(2)11-4-5-13(3)12(8)11;2*1-8-7-9(2)12-11(10(8)3)5-6-13(12)4;/h5-7H,1-4H3;4-6,14H,7H2,1-3H3;2*5-7H,1-4H3;1H4
InChIKeyAANPUHBVBCOVTP-UHFFFAOYSA-N
XLogP12.05
TPSA57.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.09
LogP ≤ 512.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-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

Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3f
CID 5330724
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3cc
CID 5330747
3-[[6-[1-[(4-Fluorophenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 56589588
3-[[6-[1-[(3-Carboxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682141
3-((6-(1-((3-Methoxycarbonylphenyl)methyl)indol-6-yl)indol-1-yl)methyl)benzoic acid
CID 90682142
3-[[6-[1-[(3-Ethoxycarbonylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682143
3-[[6-[1-[(3-Carbamoylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682144
3-[[5-[1-[(3-Carboxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682145
3-[[6-[1-[[4-(Trifluoromethyl)phenyl]methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682149
3-[[6-(1-Methylindol-6-yl)indol-1-yl]methyl]benzoic acid
CID 90682167
3-[[6-[1-[[3-[(2-Methylpropan-2-yl)oxycarbonyl]phenyl]methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 145998741
CID 145998742
CID 145998742

Frequently Asked Questions

What is the IUPAC name of methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol?
The IUPAC name of methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol (CID 157054039) is methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol.
What is the SMILES notation for methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol?
The canonical SMILES for methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol is C.Cc1c(C)c(C)c2c(ccn2C)c1C=O.Cc1c(CO)cc(C)c2c1ccn2C.Cc1cc(C)c2c(ccn2C)c1C.Cc1cc(C)c2c(ccn2C)c1C.
What is the InChIKey of methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol?
The InChIKey is AANPUHBVBCOVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C12H15NO.2C12H15N.CH4/c1-8-9(2)12(7-15)11-5-6-14(4)13(11)10(8)3;1-8-6-10(7-14)9(2)11-4-5-13(3)12(8)11;2*1-8-7-9(2)12-11(10(8)3)5-6-13(12)4;/h5-7H,1-4H3;4-6,14H,7H2,1-3H3;2*5-7H,1-4H3;1H4.
What are the key properties of methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol?
methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol has a molecular weight of 753.09 g/mol, XLogP of 12.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol is sourced from PubChem (CID 157054039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).