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

C79H57N9 — CID 170279039

IUPAC4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C#N)ccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3ccc(C#N)cc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C79H57N9/c1-78(2,3)51-43-50(44-52(45-51)79(4,5)6)75-82-76(61-35-33-49(47-81)42-70(61)88-64-30-18-14-26-56(64)58-37-40-69-72(74(58)88)60-28-16-20-32-66(60)86(69)54-23-11-8-12-24-54)84-77(83-75)62-41-48(46-80)34-38-67(62)87-63-29-17-13-25-55(63)57-36-39-68-71(73(57)87)59-27-15-19-31-65(59)85(68)53-21-9-7-10-22-53/h7-45H,1-6H3
InChIKeyJITVTTJHVBEORO-UHFFFAOYSA-N
MW1132.39 g/mol
LogP19.60
Rot. Bonds7

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

4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 170279039) has the molecular formula C79H57N9 and a molecular weight of 1132.39 g/mol. Its IUPAC name is 4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID170279039
Molecular FormulaC79H57N9
Molecular Weight1132.39 g/mol
Exact Mass1131.47
IUPAC Name4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C#N)ccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3ccc(C#N)cc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C79H57N9/c1-78(2,3)51-43-50(44-52(45-51)79(4,5)6)75-82-76(61-35-33-49(47-81)42-70(61)88-64-30-18-14-26-56(64)58-37-40-69-72(74(58)88)60-28-16-20-32-66(60)86(69)54-23-11-8-12-24-54)84-77(83-75)62-41-48(46-80)34-38-67(62)87-63-29-17-13-25-55(63)57-36-39-68-71(73(57)87)59-27-15-19-31-65(59)85(68)53-21-9-7-10-22-53/h7-45H,1-6H3
InChIKeyJITVTTJHVBEORO-UHFFFAOYSA-N
XLogP19.60
TPSA105.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.39
LogP ≤ 519.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 146429626
3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170447156
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 170268316
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
4-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-3-phenylbenzonitrile
CID 146180146
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095
4-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]-3-carbazol-9-ylphenyl]benzonitrile
CID 139495590
2-(3,6-ditert-butylcarbazol-9-yl)-6-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-4-phenylbenzonitrile
CID 157426749
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
4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 139496096
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476143

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 170279039) is 4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is CC(C)(C)c1cc(-c2nc(-c3cc(C#N)ccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3ccc(C#N)cc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is JITVTTJHVBEORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H57N9/c1-78(2,3)51-43-50(44-52(45-51)79(4,5)6)75-82-76(61-35-33-49(47-81)42-70(61)88-64-30-18-14-26-56(64)58-37-40-69-72(74(58)88)60-28-16-20-32-66(60)86(69)54-23-11-8-12-24-54)84-77(83-75)62-41-48(46-80)34-38-67(62)87-63-29-17-13-25-55(63)57-36-39-68-71(73(57)87)59-27-15-19-31-65(59)85(68)53-21-9-7-10-22-53/h7-45H,1-6H3.
What are the key properties of 4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 1132.39 g/mol, XLogP of 19.60, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-cyano-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 170279039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).