3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol

C49H48N4O2 — CID 123470864

IUPAC3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol
SMILESOc1ccc2c(C3Nc4ccc(-c5cccc(COc6ccc7c(C8Nc9ccccc9C89CCCCC9)c[nH]c7c6)c5)cc4C34CCCCC4)c[nH]c2c1
InChIInChI=1S/C49H48N4O2/c54-34-15-17-36-38(28-50-44(36)26-34)47-49(22-7-2-8-23-49)41-25-33(14-19-43(41)53-47)32-11-9-10-31(24-32)30-55-35-16-18-37-39(29-51-45(37)27-35)46-48(20-5-1-6-21-48)40-12-3-4-13-42(40)52-46/h3-4,9-19,24-29,46-47,50-54H,1-2,5-8,20-23,30H2
InChIKeyPMIXNGPUKIYTCL-UHFFFAOYSA-N
MW724.95 g/mol
LogP12.34
Rot. Bonds6

About 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol

3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol (PubChem CID 123470864) has the molecular formula C49H48N4O2 and a molecular weight of 724.95 g/mol. Its IUPAC name is 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol.

Molecular Properties

Compound Name3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol
PubChem CID123470864
Molecular FormulaC49H48N4O2
Molecular Weight724.95 g/mol
Exact Mass724.38
IUPAC Name3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol
SMILESOc1ccc2c(C3Nc4ccc(-c5cccc(COc6ccc7c(C8Nc9ccccc9C89CCCCC9)c[nH]c7c6)c5)cc4C34CCCCC4)c[nH]c2c1
InChIInChI=1S/C49H48N4O2/c54-34-15-17-36-38(28-50-44(36)26-34)47-49(22-7-2-8-23-49)41-25-33(14-19-43(41)53-47)32-11-9-10-31(24-32)30-55-35-16-18-37-39(29-51-45(37)27-35)46-48(20-5-1-6-21-48)40-12-3-4-13-42(40)52-46/h3-4,9-19,24-29,46-47,50-54H,1-2,5-8,20-23,30H2
InChIKeyPMIXNGPUKIYTCL-UHFFFAOYSA-N
XLogP12.34
TPSA85.10 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.95
LogP ≤ 512.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol?
The IUPAC name of 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol (CID 123470864) is 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol.
What is the SMILES notation for 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol?
The canonical SMILES for 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol is Oc1ccc2c(C3Nc4ccc(-c5cccc(COc6ccc7c(C8Nc9ccccc9C89CCCCC9)c[nH]c7c6)c5)cc4C34CCCCC4)c[nH]c2c1.
What is the InChIKey of 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol?
The InChIKey is PMIXNGPUKIYTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H48N4O2/c54-34-15-17-36-38(28-50-44(36)26-34)47-49(22-7-2-8-23-49)41-25-33(14-19-43(41)53-47)32-11-9-10-31(24-32)30-55-35-16-18-37-39(29-51-45(37)27-35)46-48(20-5-1-6-21-48)40-12-3-4-13-42(40)52-46/h3-4,9-19,24-29,46-47,50-54H,1-2,5-8,20-23,30H2.
What are the key properties of 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol?
3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol has a molecular weight of 724.95 g/mol, XLogP of 12.34, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[(3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-6-yl)oxymethyl]phenyl]spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl]-1H-indol-6-ol is sourced from PubChem (CID 123470864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).