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

C38H33ClN2O — CID 57079790

IUPAC1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
SMILESCc1cn(Cc2ccc(Cl)cc2)c2cc(C3(Cc4ccncc4)Cc4ccc(OCc5ccccc5)cc4C3)ccc12
InChIInChI=1S/C38H33ClN2O/c1-27-24-41(25-29-7-11-34(39)12-8-29)37-20-33(10-14-36(27)37)38(21-28-15-17-40-18-16-28)22-31-9-13-35(19-32(31)23-38)42-26-30-5-3-2-4-6-30/h2-20,24H,21-23,25-26H2,1H3
InChIKeyGUDIMGNEULYVQK-UHFFFAOYSA-N
MW569.15 g/mol
LogP8.90
Rot. Bonds8

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

1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole (PubChem CID 57079790) has the molecular formula C38H33ClN2O and a molecular weight of 569.15 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
PubChem CID57079790
Molecular FormulaC38H33ClN2O
Molecular Weight569.15 g/mol
Exact Mass568.23
IUPAC Name1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
SMILESCc1cn(Cc2ccc(Cl)cc2)c2cc(C3(Cc4ccncc4)Cc4ccc(OCc5ccccc5)cc4C3)ccc12
InChIInChI=1S/C38H33ClN2O/c1-27-24-41(25-29-7-11-34(39)12-8-29)37-20-33(10-14-36(27)37)38(21-28-15-17-40-18-16-28)22-31-9-13-35(19-32(31)23-38)42-26-30-5-3-2-4-6-30/h2-20,24H,21-23,25-26H2,1H3
InChIKeyGUDIMGNEULYVQK-UHFFFAOYSA-N
XLogP8.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.15
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

7-[(4-Chlorophenyl)methoxy]-9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
CID 122178017
2-[4-[(E)-2-[3-[(4-chlorophenyl)-[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172446587
2-[4-[(Z)-2-[3-[(4-chlorophenyl)-[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172453308
1-[(4-Fluorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
CID 57026364
1-Butyl-5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193466
1-Butyl-4-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193531
1-Butyl-4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193553
1-Butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193618
3-[6-[[4-[(3-Chloro-4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129193758
1-Tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane
CID 157600585
1-Tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene
CID 157785793
1-Tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene
CID 157958624

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole (CID 57079790) is 1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole is Cc1cn(Cc2ccc(Cl)cc2)c2cc(C3(Cc4ccncc4)Cc4ccc(OCc5ccccc5)cc4C3)ccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
The InChIKey is GUDIMGNEULYVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33ClN2O/c1-27-24-41(25-29-7-11-34(39)12-8-29)37-20-33(10-14-36(27)37)38(21-28-15-17-40-18-16-28)22-31-9-13-35(19-32(31)23-38)42-26-30-5-3-2-4-6-30/h2-20,24H,21-23,25-26H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole?
1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole has a molecular weight of 569.15 g/mol, XLogP of 8.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole is sourced from PubChem (CID 57079790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).