3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile

C90H54N8 — CID 170135742

IUPAC3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3-c3cccc(C#N)c3)nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3-c3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C90H54N8/c91-55-58-31-33-65(34-32-58)74-29-13-14-30-75(74)88-94-89(76-41-39-72(53-78(76)70-27-15-17-59(47-70)56-92)97-84-43-35-66(61-19-5-1-6-20-61)49-80(84)81-50-67(36-44-85(81)97)62-21-7-2-8-22-62)96-90(95-88)77-42-40-73(54-79(77)71-28-16-18-60(48-71)57-93)98-86-45-37-68(63-23-9-3-10-24-63)51-82(86)83-52-69(38-46-87(83)98)64-25-11-4-12-26-64/h1-54H
InChIKeyYQHWIDULOPVUDY-UHFFFAOYSA-N
MW1247.48 g/mol
LogP22.35
Rot. Bonds12

About 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile

3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 170135742) has the molecular formula C90H54N8 and a molecular weight of 1247.48 g/mol. Its IUPAC name is 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID170135742
Molecular FormulaC90H54N8
Molecular Weight1247.48 g/mol
Exact Mass1246.45
IUPAC Name3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3-c3cccc(C#N)c3)nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3-c3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C90H54N8/c91-55-58-31-33-65(34-32-58)74-29-13-14-30-75(74)88-94-89(76-41-39-72(53-78(76)70-27-15-17-59(47-70)56-92)97-84-43-35-66(61-19-5-1-6-20-61)49-80(84)81-50-67(36-44-85(81)97)62-21-7-2-8-22-62)96-90(95-88)77-42-40-73(54-79(77)71-28-16-18-60(48-71)57-93)98-86-45-37-68(63-23-9-3-10-24-63)51-82(86)83-52-69(38-46-87(83)98)64-25-11-4-12-26-64/h1-54H
InChIKeyYQHWIDULOPVUDY-UHFFFAOYSA-N
XLogP22.35
TPSA119.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.48
LogP ≤ 522.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile with MolForge

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Related Compounds

3-[2-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134360
3-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 154950393
2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170664965
2-[2-[4-[2-(2-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 170135903
3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 170133983
2-[2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[5-(3,6-diphenylcarbazol-9-yl)-2-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035621
9-[4-[3-[4-(3,6-dicyanocarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 166899538
4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 139496142
4-[6-(4-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 147403621
9-[3-[5-(4-cyanophenyl)-2-(3,6-dicyanocarbazol-9-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 139496068
3-[3-[4,6-bis[4-(3-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 162681285
9-[3-[2-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 139496248

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile (CID 170135742) is 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3-c3cccc(C#N)c3)nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3-c3cccc(C#N)c3)n2)cc1.
What is the InChIKey of 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is YQHWIDULOPVUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N8/c91-55-58-31-33-65(34-32-58)74-29-13-14-30-75(74)88-94-89(76-41-39-72(53-78(76)70-27-15-17-59(47-70)56-92)97-84-43-35-66(61-19-5-1-6-20-61)49-80(84)81-50-67(36-44-85(81)97)62-21-7-2-8-22-62)96-90(95-88)77-42-40-73(54-79(77)71-28-16-18-60(48-71)57-93)98-86-45-37-68(63-23-9-3-10-24-63)51-82(86)83-52-69(38-46-87(83)98)64-25-11-4-12-26-64/h1-54H.
What are the key properties of 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile?
3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 1247.48 g/mol, XLogP of 22.35, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 170135742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).