4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

C77H45N9 — CID 170664969

IUPAC4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(C#N)c(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)n3)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C77H45N9/c78-46-48-19-18-22-50(43-48)56-38-37-52(45-70(56)86-66-34-17-13-30-62(66)72-68(86)42-40-60-58-28-11-15-32-64(58)84(74(60)72)55-25-8-3-9-26-55)77-81-75(49-20-4-1-5-21-49)80-76(82-77)51-35-36-53(47-79)69(44-51)85-65-33-16-12-29-61(65)71-67(85)41-39-59-57-27-10-14-31-63(57)83(73(59)71)54-23-6-2-7-24-54/h1-45H
InChIKeyYZKSUXOSXVGIBT-UHFFFAOYSA-N
MW1096.27 g/mol
LogP18.67
Rot. Bonds8

About 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 170664969) has the molecular formula C77H45N9 and a molecular weight of 1096.27 g/mol. Its IUPAC name is 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
PubChem CID170664969
Molecular FormulaC77H45N9
Molecular Weight1096.27 g/mol
Exact Mass1095.38
IUPAC Name4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(C#N)c(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)n3)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C77H45N9/c78-46-48-19-18-22-50(43-48)56-38-37-52(45-70(56)86-66-34-17-13-30-62(66)72-68(86)42-40-60-58-28-11-15-32-64(58)84(74(60)72)55-25-8-3-9-26-55)77-81-75(49-20-4-1-5-21-49)80-76(82-77)51-35-36-53(47-79)69(44-51)85-65-33-16-12-29-61(65)71-67(85)41-39-59-57-27-10-14-31-63(57)83(73(59)71)54-23-6-2-7-24-54/h1-45H
InChIKeyYZKSUXOSXVGIBT-UHFFFAOYSA-N
XLogP18.67
TPSA105.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.27
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile with MolForge

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Related Compounds

3-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170133343
5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170444631
4-[4-[5-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664741
2-(5,12-diphenylindolo[3,2-c]carbazol-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582346
4-(4,6-diphenylpyrimidin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 177100715
2-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582345
3-[3-(3-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 155446842
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 170268316
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163795188
3-[4-(3-methylphenyl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 170268524
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 139303465

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (CID 170664969) is 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is N#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(C#N)c(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)n3)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is YZKSUXOSXVGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H45N9/c78-46-48-19-18-22-50(43-48)56-38-37-52(45-70(56)86-66-34-17-13-30-62(66)72-68(86)42-40-60-58-28-11-15-32-64(58)84(74(60)72)55-25-8-3-9-26-55)77-81-75(49-20-4-1-5-21-49)80-76(82-77)51-35-36-53(47-79)69(44-51)85-65-33-16-12-29-61(65)71-67(85)41-39-59-57-27-10-14-31-63(57)83(73(59)71)54-23-6-2-7-24-54/h1-45H.
What are the key properties of 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 1096.27 g/mol, XLogP of 18.67, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 170664969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).