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

C103H61N17 — CID 146187167

IUPAC4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(C#N)cc(-c3cccnc3)c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C103H61N17/c104-61-64-43-48-86(119-87-49-44-74(100-111-92(66-26-9-1-10-27-66)107-93(112-100)67-28-11-2-12-29-67)57-81(87)82-58-75(45-50-88(82)119)101-113-94(68-30-13-3-14-31-68)108-95(114-101)69-32-15-4-16-33-69)80(54-64)85-56-65(62-105)55-79(78-42-25-53-106-63-78)91(85)120-89-51-46-76(102-115-96(70-34-17-5-18-35-70)109-97(116-102)71-36-19-6-20-37-71)59-83(89)84-60-77(47-52-90(84)120)103-117-98(72-38-21-7-22-39-72)110-99(118-103)73-40-23-8-24-41-73/h1-60,63H
InChIKeyNVDOMPHRZITQNO-UHFFFAOYSA-N
MW1536.74 g/mol
LogP23.10
Rot. Bonds16

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

4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile (PubChem CID 146187167) has the molecular formula C103H61N17 and a molecular weight of 1536.74 g/mol. Its IUPAC name is 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile
PubChem CID146187167
Molecular FormulaC103H61N17
Molecular Weight1536.74 g/mol
Exact Mass1535.53
IUPAC Name4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(C#N)cc(-c3cccnc3)c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C103H61N17/c104-61-64-43-48-86(119-87-49-44-74(100-111-92(66-26-9-1-10-27-66)107-93(112-100)67-28-11-2-12-29-67)57-81(87)82-58-75(45-50-88(82)119)101-113-94(68-30-13-3-14-31-68)108-95(114-101)69-32-15-4-16-33-69)80(54-64)85-56-65(62-105)55-79(78-42-25-53-106-63-78)91(85)120-89-51-46-76(102-115-96(70-34-17-5-18-35-70)109-97(116-102)71-36-19-6-20-37-71)59-83(89)84-60-77(47-52-90(84)120)103-117-98(72-38-21-7-22-39-72)110-99(118-103)73-40-23-8-24-41-73/h1-60,63H
InChIKeyNVDOMPHRZITQNO-UHFFFAOYSA-N
XLogP23.10
TPSA225.01 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001536.74
LogP ≤ 523.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile with MolForge

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Related Compounds

9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
4-[9-[2-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-3-ylphenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 138663207
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile
CID 166968161
4-(3,6-diphenylcarbazol-9-yl)-3-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003386
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170445850
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 138712675
5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155003315
5-[9-[4-cyano-2-[4-[5-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138712673
4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003347
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-methylphenyl]benzonitrile
CID 157473750
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603109
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 155003380

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile?
The IUPAC name of 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile (CID 146187167) is 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile?
The canonical SMILES for 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile is N#Cc1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(C#N)cc(-c3cccnc3)c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.
What is the InChIKey of 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile?
The InChIKey is NVDOMPHRZITQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H61N17/c104-61-64-43-48-86(119-87-49-44-74(100-111-92(66-26-9-1-10-27-66)107-93(112-100)67-28-11-2-12-29-67)57-81(87)82-58-75(45-50-88(82)119)101-113-94(68-30-13-3-14-31-68)108-95(114-101)69-32-15-4-16-33-69)80(54-64)85-56-65(62-105)55-79(78-42-25-53-106-63-78)91(85)120-89-51-46-76(102-115-96(70-34-17-5-18-35-70)109-97(116-102)71-36-19-6-20-37-71)59-83(89)84-60-77(47-52-90(84)120)103-117-98(72-38-21-7-22-39-72)110-99(118-103)73-40-23-8-24-41-73/h1-60,63H.
What are the key properties of 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile?
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile has a molecular weight of 1536.74 g/mol, XLogP of 23.10, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 146187167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).