5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C60H33N3 — CID 59221847

IUPAC5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1cccc3c4cc(-c5cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)c5)ccc4n2c13
InChIInChI=1S/C60H33N3/c1-4-19-52-40(10-1)43-13-7-16-46-49-31-34(22-25-55(49)61(52)58(43)46)37-28-38(35-23-26-56-50(32-35)47-17-8-14-44-41-11-2-5-20-53(41)62(56)59(44)47)30-39(29-37)36-24-27-57-51(33-36)48-18-9-15-45-42-12-3-6-21-54(42)63(57)60(45)48/h1-33H
InChIKeyBXZPOBSCKLMNDP-UHFFFAOYSA-N
MW795.95 g/mol
LogP16.14
Rot. Bonds3

About 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 59221847) has the molecular formula C60H33N3 and a molecular weight of 795.95 g/mol. Its IUPAC name is 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID59221847
Molecular FormulaC60H33N3
Molecular Weight795.95 g/mol
Exact Mass795.27
IUPAC Name5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1cccc3c4cc(-c5cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)c5)ccc4n2c13
InChIInChI=1S/C60H33N3/c1-4-19-52-40(10-1)43-13-7-16-46-49-31-34(22-25-55(49)61(52)58(43)46)37-28-38(35-23-26-56-50(32-35)47-17-8-14-44-41-11-2-5-20-53(41)62(56)59(44)47)30-39(29-37)36-24-27-57-51(33-36)48-18-9-15-45-42-12-3-6-21-54(42)63(57)60(45)48/h1-33H
InChIKeyBXZPOBSCKLMNDP-UHFFFAOYSA-N
XLogP16.14
TPSA13.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.95
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 59221847) is 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc2c(c1)c1cccc3c4cc(-c5cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)cc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)c5)ccc4n2c13.
What is the InChIKey of 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is BXZPOBSCKLMNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H33N3/c1-4-19-52-40(10-1)43-13-7-16-46-49-31-34(22-25-55(49)61(52)58(43)46)37-28-38(35-23-26-56-50(32-35)47-17-8-14-44-41-11-2-5-20-53(41)62(56)59(44)47)30-39(29-37)36-24-27-57-51(33-36)48-18-9-15-45-42-12-3-6-21-54(42)63(57)60(45)48/h1-33H.
What are the key properties of 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 795.95 g/mol, XLogP of 16.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 59221847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).