10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C23H15ClN6 — CID 2023174

IUPAC10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1cccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)c1
InChIInChI=1S/C23H15ClN6/c24-17-8-4-9-18(12-17)30-22-20(13-26-30)23-28-27-21(29(23)14-25-22)11-16-7-3-6-15-5-1-2-10-19(15)16/h1-10,12-14H,11H2
InChIKeyWZBFBGWKPNUDPD-UHFFFAOYSA-N
MW410.87 g/mol
LogP4.86
Rot. Bonds3

About 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 2023174) has the molecular formula C23H15ClN6 and a molecular weight of 410.87 g/mol. Its IUPAC name is 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID2023174
Molecular FormulaC23H15ClN6
Molecular Weight410.87 g/mol
Exact Mass410.10
IUPAC Name10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1cccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)c1
InChIInChI=1S/C23H15ClN6/c24-17-8-4-9-18(12-17)30-22-20(13-26-30)23-28-27-21(29(23)14-25-22)11-16-7-3-6-15-5-1-2-10-19(15)16/h1-10,12-14H,11H2
InChIKeyWZBFBGWKPNUDPD-UHFFFAOYSA-N
XLogP4.86
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

10-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2024337
5-(2-chlorophenyl)-10-(3-chlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2015177
10-(3-chlorophenyl)-5-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4212165
7-chloro-3-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327133
5-[(3,4-dimethoxyphenyl)methyl]-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 1079805
10-(3-chlorophenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 939570
1-(3-chlorophenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243768
N-[(2-chlorophenyl)methyl]-2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799484
1-(3-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
CID 7475893
3-[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]phenol
CID 3373571
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
10-(3,4-dimethylphenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 944579

Frequently Asked Questions

What is the IUPAC name of 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 2023174) is 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Clc1cccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)c1.
What is the InChIKey of 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is WZBFBGWKPNUDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN6/c24-17-8-4-9-18(12-17)30-22-20(13-26-30)23-28-27-21(29(23)14-25-22)11-16-7-3-6-15-5-1-2-10-19(15)16/h1-10,12-14H,11H2.
What are the key properties of 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 410.87 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 2023174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).