6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile

C32H20N10 — CID 71205190

IUPAC6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile
SMILESCc1nn2c(c1-c1ccc(C#N)cc1)n1nc(C)c(-c3ccc(C#N)cc3)c1n1nc(C)c(-c3ccc(C#N)cn3)c21
InChIInChI=1S/C32H20N10/c1-18-27(24-9-4-21(14-33)5-10-24)31-40(37-18)30-28(25-11-6-22(15-34)7-12-25)19(2)38-41(30)32-29(20(3)39-42(31)32)26-13-8-23(16-35)17-36-26/h4-13,17H,1-3H3
InChIKeyACGOJTVNUREMRA-UHFFFAOYSA-N
MW544.58 g/mol
LogP5.57
Rot. Bonds3

About 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile

6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile (PubChem CID 71205190) has the molecular formula C32H20N10 and a molecular weight of 544.58 g/mol. Its IUPAC name is 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile
PubChem CID71205190
Molecular FormulaC32H20N10
Molecular Weight544.58 g/mol
Exact Mass544.19
IUPAC Name6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile
SMILESCc1nn2c(c1-c1ccc(C#N)cc1)n1nc(C)c(-c3ccc(C#N)cc3)c1n1nc(C)c(-c3ccc(C#N)cn3)c21
InChIInChI=1S/C32H20N10/c1-18-27(24-9-4-21(14-33)5-10-24)31-40(37-18)30-28(25-11-6-22(15-34)7-12-25)19(2)38-41(30)32-29(20(3)39-42(31)32)26-13-8-23(16-35)17-36-26/h4-13,17H,1-3H3
InChIKeyACGOJTVNUREMRA-UHFFFAOYSA-N
XLogP5.57
TPSA136.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.58
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile (CID 71205190) is 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile is Cc1nn2c(c1-c1ccc(C#N)cc1)n1nc(C)c(-c3ccc(C#N)cc3)c1n1nc(C)c(-c3ccc(C#N)cn3)c21.
What is the InChIKey of 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile?
The InChIKey is ACGOJTVNUREMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N10/c1-18-27(24-9-4-21(14-33)5-10-24)31-40(37-18)30-28(25-11-6-22(15-34)7-12-25)19(2)38-41(30)32-29(20(3)39-42(31)32)26-13-8-23(16-35)17-36-26/h4-13,17H,1-3H3.
What are the key properties of 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile?
6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile has a molecular weight of 544.58 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8,13-bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 71205190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).