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

C38H34N2O — CID 57199285

IUPAC1-benzyl-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/C38H34N2O/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/h2-21,25H,22-24,26-27H2,1H3
InChIKeyYJZDMLHNGGWNRZ-UHFFFAOYSA-N
MW534.70 g/mol
LogP8.25
Rot. Bonds8

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

1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole (PubChem CID 57199285) has the molecular formula C38H34N2O and a molecular weight of 534.70 g/mol. Its IUPAC name is 1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole.

Molecular Properties

Compound Name1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
PubChem CID57199285
Molecular FormulaC38H34N2O
Molecular Weight534.70 g/mol
Exact Mass534.27
IUPAC Name1-benzyl-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/C38H34N2O/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/h2-21,25H,22-24,26-27H2,1H3
InChIKeyYJZDMLHNGGWNRZ-UHFFFAOYSA-N
XLogP8.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
1-Methyl-2-[2-methyl-4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9925192
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10027638
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
9-Benzyl-2-hexyl-1-methyl-7-phenylmethoxypyrido[3,4-b]indol-2-ium bromide
CID 54767197
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,4-dihydrochromene-3,4'-piperidine]
CID 10096191
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2H-1-benzofuran-3,4'-piperidine]
CID 10434120
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The IUPAC name of 1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole (CID 57199285) is 1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole.
What is the SMILES notation for 1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The canonical SMILES for 1-benzyl-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-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The InChIKey is YJZDMLHNGGWNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2O/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/h2-21,25H,22-24,26-27H2,1H3.
What are the key properties of 1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole has a molecular weight of 534.70 g/mol, XLogP of 8.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole is sourced from PubChem (CID 57199285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).