9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole

C176H120N16 — CID 160669259

IUPAC9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2ccccc2c2ccccc21.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C92H58N8.C84H62N8/c1-6-28-59(29-7-1)64-50-53-82-74(56-64)71-42-22-27-49-81(71)99(82)91-86(97-77-45-23-18-38-67(77)68-39-19-24-46-78(68)97)85(72-43-16-17-44-73(72)90-94-88(62-34-12-4-13-35-62)93-89(95-90)63-36-14-5-15-37-63)87(98-79-47-25-20-40-69(79)70-41-21-26-48-80(70)98)92(96-91)100-83-54-51-65(60-30-8-2-9-31-60)57-75(83)76-58-66(52-55-84(76)100)61-32-10-3-11-33-61;1-83(2,3)55-42-45-75-65(48-55)60-32-18-23-39-72(60)91(75)81-78(89-69-36-20-15-29-57(69)58-30-16-21-37-70(58)89)77(62-34-13-14-35-63(62)80-86-67(53-25-9-7-10-26-53)50-68(87-80)54-27-11-8-12-28-54)79(90-71-38-22-17-31-59(71)64-47-52(51-85)41-44-74(64)90)82(88-81)92-73-40-24-19-33-61(73)66-49-56(84(4,5)6)43-46-76(66)92/h1-58H;7-50H,1-6H3
InChIKeyRMSDNMRDXBSCFA-UHFFFAOYSA-N
MW2459.01 g/mol
LogP44.72
Rot. Bonds19

About 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole

9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole (PubChem CID 160669259) has the molecular formula C176H120N16 and a molecular weight of 2459.01 g/mol. Its IUPAC name is 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole
PubChem CID160669259
Molecular FormulaC176H120N16
Molecular Weight2459.01 g/mol
Exact Mass2456.99
IUPAC Name9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2ccccc2c2ccccc21.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C92H58N8.C84H62N8/c1-6-28-59(29-7-1)64-50-53-82-74(56-64)71-42-22-27-49-81(71)99(82)91-86(97-77-45-23-18-38-67(77)68-39-19-24-46-78(68)97)85(72-43-16-17-44-73(72)90-94-88(62-34-12-4-13-35-62)93-89(95-90)63-36-14-5-15-37-63)87(98-79-47-25-20-40-69(79)70-41-21-26-48-80(70)98)92(96-91)100-83-54-51-65(60-30-8-2-9-31-60)57-75(83)76-58-66(52-55-84(76)100)61-32-10-3-11-33-61;1-83(2,3)55-42-45-75-65(48-55)60-32-18-23-39-72(60)91(75)81-78(89-69-36-20-15-29-57(69)58-30-16-21-37-70(58)89)77(62-34-13-14-35-63(62)80-86-67(53-25-9-7-10-26-53)50-68(87-80)54-27-11-8-12-28-54)79(90-71-38-22-17-31-59(71)64-47-52(51-85)41-44-74(64)90)82(88-81)92-73-40-24-19-33-61(73)66-49-56(84(4,5)6)43-46-76(66)92/h1-58H;7-50H,1-6H3
InChIKeyRMSDNMRDXBSCFA-UHFFFAOYSA-N
XLogP44.72
TPSA153.46 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002459.01
LogP ≤ 544.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 146280891
9-[4-cyano-2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-2-carbonitrile;4-(2,7-diphenylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzonitrile;4-(3,6-diphenylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzonitrile;3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile;3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 159413736
9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 146281051
4-[9-[2,6-bis(4-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155446819
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 156511431
3-[3-(3-cyanophenyl)-2-[3-(4-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155446457
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)benzonitrile
CID 134476139
5-[9-[2,6-bis(3-cyanophenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155446439
9-[2-(4-tert-butylphenyl)-6-phenyl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,6-diphenylcarbazole
CID 146281192
4-[3-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 155446971
3-[9-[2,6-bis(4-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155447249
3,6-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-bis(3-phenylcarbazol-9-yl)pyrimidin-2-yl]carbazole
CID 153461388

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole (CID 160669259) is 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2ccccc2c2ccccc21.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole?
The InChIKey is RMSDNMRDXBSCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H58N8.C84H62N8/c1-6-28-59(29-7-1)64-50-53-82-74(56-64)71-42-22-27-49-81(71)99(82)91-86(97-77-45-23-18-38-67(77)68-39-19-24-46-78(68)97)85(72-43-16-17-44-73(72)90-94-88(62-34-12-4-13-35-62)93-89(95-90)63-36-14-5-15-37-63)87(98-79-47-25-20-40-69(79)70-41-21-26-48-80(70)98)92(96-91)100-83-54-51-65(60-30-8-2-9-31-60)57-75(83)76-58-66(52-55-84(76)100)61-32-10-3-11-33-61;1-83(2,3)55-42-45-75-65(48-55)60-32-18-23-39-72(60)91(75)81-78(89-69-36-20-15-29-57(69)58-30-16-21-37-70(58)89)77(62-34-13-14-35-63(62)80-86-67(53-25-9-7-10-26-53)50-68(87-80)54-27-11-8-12-28-54)79(90-71-38-22-17-31-59(71)64-47-52(51-85)41-44-74(64)90)82(88-81)92-73-40-24-19-33-61(73)66-49-56(84(4,5)6)43-46-76(66)92/h1-58H;7-50H,1-6H3.
What are the key properties of 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole?
9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole has a molecular weight of 2459.01 g/mol, XLogP of 44.72, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 160669259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).