10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C34H23ClN12O2 — CID 158183908

IUPAC10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1ccccc1-n1ncc2c1ncn1nc(-c3ccco3)nc21.c1ccc(CCn2ncc3c2ncn2nc(-c4ccco4)nc32)cc1
InChIInChI=1S/C18H14N6O.C16H9ClN6O/c1-2-5-13(6-3-1)8-9-23-17-14(11-20-23)18-21-16(15-7-4-10-25-15)22-24(18)12-19-17;17-11-4-1-2-5-12(11)23-15-10(8-19-23)16-20-14(13-6-3-7-24-13)21-22(16)9-18-15/h1-7,10-12H,8-9H2;1-9H
InChIKeyFYXOWXYEDBXOSH-UHFFFAOYSA-N
MW667.09 g/mol
LogP6.35
Rot. Bonds6

About 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 158183908) has the molecular formula C34H23ClN12O2 and a molecular weight of 667.09 g/mol. Its IUPAC name is 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID158183908
Molecular FormulaC34H23ClN12O2
Molecular Weight667.09 g/mol
Exact Mass666.18
IUPAC Name10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1ccccc1-n1ncc2c1ncn1nc(-c3ccco3)nc21.c1ccc(CCn2ncc3c2ncn2nc(-c4ccco4)nc32)cc1
InChIInChI=1S/C18H14N6O.C16H9ClN6O/c1-2-5-13(6-3-1)8-9-23-17-14(11-20-23)18-21-16(15-7-4-10-25-15)22-24(18)12-19-17;17-11-4-1-2-5-12(11)23-15-10(8-19-23)16-20-14(13-6-3-7-24-13)21-22(16)9-18-15/h1-7,10-12H,8-9H2;1-9H
InChIKeyFYXOWXYEDBXOSH-UHFFFAOYSA-N
XLogP6.35
TPSA148.08 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500667.09
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 158183908) is 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Clc1ccccc1-n1ncc2c1ncn1nc(-c3ccco3)nc21.c1ccc(CCn2ncc3c2ncn2nc(-c4ccco4)nc32)cc1.
What is the InChIKey of 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is FYXOWXYEDBXOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O.C16H9ClN6O/c1-2-5-13(6-3-1)8-9-23-17-14(11-20-23)18-21-16(15-7-4-10-25-15)22-24(18)12-19-17;17-11-4-1-2-5-12(11)23-15-10(8-19-23)16-20-14(13-6-3-7-24-13)21-22(16)9-18-15/h1-7,10-12H,8-9H2;1-9H.
What are the key properties of 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 667.09 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-chlorophenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 158183908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).