2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C56H42N16 — CID 134296285

IUPAC2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C#N)n1
InChIInChI=1S/C56H42N16/c1-28-59-29(2)64-53(63-28)37-9-13-47-42(21-37)43-22-38(54-65-30(3)60-31(4)66-54)10-14-48(43)71(47)51-25-41(36-17-19-58-20-18-36)26-52(46(51)27-57)72-49-15-11-39(55-67-32(5)61-33(6)68-55)23-44(49)45-24-40(12-16-50(45)72)56-69-34(7)62-35(8)70-56/h9-26H,1-8H3
InChIKeyYAXUAAFZBYPXED-UHFFFAOYSA-N
MW939.06 g/mol
LogP10.69
Rot. Bonds7

About 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134296285) has the molecular formula C56H42N16 and a molecular weight of 939.06 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134296285
Molecular FormulaC56H42N16
Molecular Weight939.06 g/mol
Exact Mass938.38
IUPAC Name2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C#N)n1
InChIInChI=1S/C56H42N16/c1-28-59-29(2)64-53(63-28)37-9-13-47-42(21-37)43-22-38(54-65-30(3)60-31(4)66-54)10-14-48(43)71(47)51-25-41(36-17-19-58-20-18-36)26-52(46(51)27-57)72-49-15-11-39(55-67-32(5)61-33(6)68-55)23-44(49)45-24-40(12-16-50(45)72)56-69-34(7)62-35(8)70-56/h9-26H,1-8H3
InChIKeyYAXUAAFZBYPXED-UHFFFAOYSA-N
XLogP10.69
TPSA201.22 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500939.06
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134296285) is 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C#N)n1.
What is the InChIKey of 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is YAXUAAFZBYPXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N16/c1-28-59-29(2)64-53(63-28)37-9-13-47-42(21-37)43-22-38(54-65-30(3)60-31(4)66-54)10-14-48(43)71(47)51-25-41(36-17-19-58-20-18-36)26-52(46(51)27-57)72-49-15-11-39(55-67-32(5)61-33(6)68-55)23-44(49)45-24-40(12-16-50(45)72)56-69-34(7)62-35(8)70-56/h9-26H,1-8H3.
What are the key properties of 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 939.06 g/mol, XLogP of 10.69, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134296285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).