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

C82H70N8 — CID 169035832

IUPAC3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cccc(C#N)c2)ccc1-c1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)nc(-c2ccc(-c3cccc(C#N)c3)cc2-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1
InChIInChI=1S/C82H70N8/c1-79(2,3)60-29-35-70-66(43-60)67-44-61(80(4,5)6)30-36-71(67)89(70)74-41-58(56-17-13-15-51(39-56)48-84)27-33-64(74)77-86-76(55-25-23-54(24-26-55)53-21-19-50(47-83)20-22-53)87-78(88-77)65-34-28-59(57-18-14-16-52(40-57)49-85)42-75(65)90-72-37-31-62(81(7,8)9)45-68(72)69-46-63(82(10,11)12)32-38-73(69)90/h13-46H,1-12H3
InChIKeyYIYHWAYRQCWNKA-UHFFFAOYSA-N
MW1167.52 g/mol
LogP20.87
Rot. Bonds8

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

3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 169035832) has the molecular formula C82H70N8 and a molecular weight of 1167.52 g/mol. Its IUPAC name is 3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID169035832
Molecular FormulaC82H70N8
Molecular Weight1167.52 g/mol
Exact Mass1166.57
IUPAC Name3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cccc(C#N)c2)ccc1-c1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)nc(-c2ccc(-c3cccc(C#N)c3)cc2-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1
InChIInChI=1S/C82H70N8/c1-79(2,3)60-29-35-70-66(43-60)67-44-61(80(4,5)6)30-36-71(67)89(70)74-41-58(56-17-13-15-51(39-56)48-84)27-33-64(74)77-86-76(55-25-23-54(24-26-55)53-21-19-50(47-83)20-22-53)87-78(88-77)65-34-28-59(57-18-14-16-52(40-57)49-85)42-75(65)90-72-37-31-62(81(7,8)9)45-68(72)69-46-63(82(10,11)12)32-38-73(69)90/h13-46H,1-12H3
InChIKeyYIYHWAYRQCWNKA-UHFFFAOYSA-N
XLogP20.87
TPSA119.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.52
LogP ≤ 520.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[4-[4,6-bis[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035873
3-[3-[4,6-bis[2-(3-tert-butylcarbazol-9-yl)-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035944
2-[2-[4,6-bis[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134056
4-[4-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134170
3-[3-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035495
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 155588470
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 142543910
4-[4-(3,6-ditert-butylcarbazol-9-yl)-3-[5-(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495579
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-[3-[4-[5-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[2-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
CID 162681299
3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[3-(3,6-ditert-butylcarbazol-9-yl)-4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
CID 169035530
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035606

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile (CID 169035832) is 3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cccc(C#N)c2)ccc1-c1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)nc(-c2ccc(-c3cccc(C#N)c3)cc2-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1.
What is the InChIKey of 3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is YIYHWAYRQCWNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H70N8/c1-79(2,3)60-29-35-70-66(43-60)67-44-61(80(4,5)6)30-36-71(67)89(70)74-41-58(56-17-13-15-51(39-56)48-84)27-33-64(74)77-86-76(55-25-23-54(24-26-55)53-21-19-50(47-83)20-22-53)87-78(88-77)65-34-28-59(57-18-14-16-52(40-57)49-85)42-75(65)90-72-37-31-62(81(7,8)9)45-68(72)69-46-63(82(10,11)12)32-38-73(69)90/h13-46H,1-12H3.
What are the key properties of 3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile?
3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 1167.52 g/mol, XLogP of 20.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 169035832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).