1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole

C38H40N2O — CID 54460623

IUPAC1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
SMILESCc1cn(CC2CCCCC2)c2cc(C3(Cc4ccncc4)Cc4ccc(OCc5ccccc5)cc4C3)ccc12
InChIInChI=1S/C38H40N2O/c1-28-25-40(26-30-8-4-2-5-9-30)37-21-34(13-15-36(28)37)38(22-29-16-18-39-19-17-29)23-32-12-14-35(20-33(32)24-38)41-27-31-10-6-3-7-11-31/h3,6-7,10-21,25,30H,2,4-5,8-9,22-24,26-27H2,1H3
InChIKeyXBIZWGTTZQDLAO-UHFFFAOYSA-N
MW540.75 g/mol
LogP8.78
Rot. Bonds8

About 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole

1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole (PubChem CID 54460623) has the molecular formula C38H40N2O and a molecular weight of 540.75 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
PubChem CID54460623
Molecular FormulaC38H40N2O
Molecular Weight540.75 g/mol
Exact Mass540.31
IUPAC Name1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
SMILESCc1cn(CC2CCCCC2)c2cc(C3(Cc4ccncc4)Cc4ccc(OCc5ccccc5)cc4C3)ccc12
InChIInChI=1S/C38H40N2O/c1-28-25-40(26-30-8-4-2-5-9-30)37-21-34(13-15-36(28)37)38(22-29-16-18-39-19-17-29)23-32-12-14-35(20-33(32)24-38)41-27-31-10-6-3-7-11-31/h3,6-7,10-21,25,30H,2,4-5,8-9,22-24,26-27H2,1H3
InChIKeyXBIZWGTTZQDLAO-UHFFFAOYSA-N
XLogP8.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole with MolForge

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Related Compounds

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CID 134179284
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CID 9925192
1-Phenethyl-2-[4-(3-piperidinylpropoxy)phenyl]-indolizine
CID 10114059
1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 44215411
2,9-Dibenzyl-1-methyl-7-phenylmethoxypyrido[3,4-b]indol-2-ium bromide
CID 54766737
2-Benzyl-7-(cyclohexylmethoxy)-9-(cyclohexylmethyl)-1-methylpyrido[3,4-b]indol-2-ium bromide
CID 54766892
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,4-dihydrochromene-3,4'-piperidine]
CID 10096191
2-benzyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium bromide
CID 25154820
(E)-9-Methoxy-11H-indeno[1,2-c]quinolin-11-one O-2-(pyrrolidin-1-yl)ethyl Oxime
CID 42598388
(1S,13R)-16-methoxy-10,22-dimethyl-10,22-diazahexacyclo[11.7.4.0^{1,13}.0^{3,11}.0^{4,9}.0^{14,19}]tetracosa-3(11),4(9),5,7,14(19),15,17-heptaene
CID 44235489
2-[2-Methyl-4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 44294664
5-Methyl-2-[3-(naphthalen-2-yloxy)-propyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44350897

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The IUPAC name of 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole (CID 54460623) is 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole is Cc1cn(CC2CCCCC2)c2cc(C3(Cc4ccncc4)Cc4ccc(OCc5ccccc5)cc4C3)ccc12.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The InChIKey is XBIZWGTTZQDLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O/c1-28-25-40(26-30-8-4-2-5-9-30)37-21-34(13-15-36(28)37)38(22-29-16-18-39-19-17-29)23-32-12-14-35(20-33(32)24-38)41-27-31-10-6-3-7-11-31/h3,6-7,10-21,25,30H,2,4-5,8-9,22-24,26-27H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole has a molecular weight of 540.75 g/mol, XLogP of 8.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole is sourced from PubChem (CID 54460623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).