5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C23H21Cl3N2 — CID 90799197

IUPAC5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCC(=Cn1c2c(c3cc(Cl)ccc31)C1CCC(C2)N1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21Cl3N2/c1-13(14-3-6-18(25)19(26)9-14)12-28-20-7-4-15(24)10-17(20)23-21-8-5-16(27(21)2)11-22(23)28/h3-4,6-7,9-10,12,16,21H,5,8,11H2,1-2H3
InChIKeyFVYCXGXPFLJFOK-UHFFFAOYSA-N
MW431.79 g/mol
LogP7.31
Rot. Bonds2

About 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 90799197) has the molecular formula C23H21Cl3N2 and a molecular weight of 431.79 g/mol. Its IUPAC name is 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID90799197
Molecular FormulaC23H21Cl3N2
Molecular Weight431.79 g/mol
Exact Mass430.08
IUPAC Name5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCC(=Cn1c2c(c3cc(Cl)ccc31)C1CCC(C2)N1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21Cl3N2/c1-13(14-3-6-18(25)19(26)9-14)12-28-20-7-4-15(24)10-17(20)23-21-8-5-16(27(21)2)11-22(23)28/h3-4,6-7,9-10,12,16,21H,5,8,11H2,1-2H3
InChIKeyFVYCXGXPFLJFOK-UHFFFAOYSA-N
XLogP7.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.79
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene with MolForge

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Related Compounds

5-chloro-9-[2-(4-chlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 91574189
5-chloro-15-methyl-9-propyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 143870028
9-[2-(3,4-dichlorophenyl)prop-1-enyl]-5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 76789308
3-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propanenitrile
CID 59285359
2,2,2-trichloroethyl 3-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-fluoropropanoate
CID 51348327
9-[(E)-2-(3,4-dichlorophenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 118227525
9-chloro-6-[(Z)-2-(3,4-difluorophenyl)prop-1-enyl]-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 68561402
5-chloro-9-[2-(4-methoxyphenyl)ethyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 59285323
9-chloro-6-[(E)-2-(4-fluorophenyl)prop-1-enyl]-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 45375941
6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 66911702
2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol
CID 59285351
2-chloro-N-[1-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-4-(methylamino)-4-oxobutan-2-yl]-4-fluorobenzamide
CID 51348477

Frequently Asked Questions

What is the IUPAC name of 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 90799197) is 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is CC(=Cn1c2c(c3cc(Cl)ccc31)C1CCC(C2)N1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is FVYCXGXPFLJFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2/c1-13(14-3-6-18(25)19(26)9-14)12-28-20-7-4-15(24)10-17(20)23-21-8-5-16(27(21)2)11-22(23)28/h3-4,6-7,9-10,12,16,21H,5,8,11H2,1-2H3.
What are the key properties of 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 431.79 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-9-[2-(3,4-dichlorophenyl)prop-1-enyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 90799197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).