7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene

C40H24N2 — CID 126548001

IUPAC7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
SMILESc1ccc2c(c1)ccc1c3ccc4cc(-c5cc6ccccc6c6c5[nH]c5ccc7ccccc7c56)ccc4c3[nH]c21
InChIInChI=1S/C40H24N2/c1-4-10-28-23(7-1)16-20-35-36(28)37-29-11-5-3-9-25(29)22-34(40(37)41-35)27-14-17-31-26(21-27)15-19-33-32-18-13-24-8-2-6-12-30(24)38(32)42-39(31)33/h1-22,41-42H
InChIKeyVJNXTCZDJLFYFY-UHFFFAOYSA-N
MW532.65 g/mol
LogP11.24
Rot. Bonds1

About 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene

7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene (PubChem CID 126548001) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene.

Molecular Properties

Compound Name7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
PubChem CID126548001
Molecular FormulaC40H24N2
Molecular Weight532.65 g/mol
Exact Mass532.19
IUPAC Name7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
SMILESc1ccc2c(c1)ccc1c3ccc4cc(-c5cc6ccccc6c6c5[nH]c5ccc7ccccc7c56)ccc4c3[nH]c21
InChIInChI=1S/C40H24N2/c1-4-10-28-23(7-1)16-20-35-36(28)37-29-11-5-3-9-25(29)22-34(40(37)41-35)27-14-17-31-26(21-27)15-19-33-32-18-13-24-8-2-6-12-30(24)38(32)42-39(31)33/h1-22,41-42H
InChIKeyVJNXTCZDJLFYFY-UHFFFAOYSA-N
XLogP11.24
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 511.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene?
The IUPAC name of 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene (CID 126548001) is 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene.
What is the SMILES notation for 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene?
The canonical SMILES for 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene is c1ccc2c(c1)ccc1c3ccc4cc(-c5cc6ccccc6c6c5[nH]c5ccc7ccccc7c56)ccc4c3[nH]c21.
What is the InChIKey of 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene?
The InChIKey is VJNXTCZDJLFYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c1-4-10-28-23(7-1)16-20-35-36(28)37-29-11-5-3-9-25(29)22-34(40(37)41-35)27-14-17-31-26(21-27)15-19-33-32-18-13-24-8-2-6-12-30(24)38(32)42-39(31)33/h1-22,41-42H.
What are the key properties of 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene?
7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene has a molecular weight of 532.65 g/mol, XLogP of 11.24, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene is sourced from PubChem (CID 126548001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).