9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole

C254H311N19 — CID 159436458

IUPAC9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/2C85H104N6.C84H103N7/c1-77(2,3)56-33-35-71-66(49-56)65-30-28-29-31-70(65)91(71)72-34-32-51(73-86-68(52-36-57(78(4,5)6)45-58(37-52)79(7,8)9)50-69(87-73)53-38-59(80(10,11)12)46-60(39-53)81(13,14)15)44-67(72)76-89-74(54-40-61(82(16,17)18)47-62(41-54)83(19,20)21)88-75(90-76)55-42-63(84(22,23)24)48-64(43-55)85(25,26)27;1-77(2,3)56-33-35-71-66(49-56)65-30-28-29-31-70(65)91(71)72-34-32-51(68-50-69(52-36-57(78(4,5)6)45-58(37-52)79(7,8)9)87-73(86-68)53-38-59(80(10,11)12)46-60(39-53)81(13,14)15)44-67(72)76-89-74(54-40-61(82(16,17)18)47-62(41-54)83(19,20)21)88-75(90-76)55-42-63(84(22,23)24)48-64(43-55)85(25,26)27;1-76(2,3)55-33-35-68-65(49-55)64-30-28-29-31-67(64)91(68)69-34-32-50(70-85-71(51-36-56(77(4,5)6)45-57(37-51)78(7,8)9)87-72(86-70)52-38-58(79(10,11)12)46-59(39-52)80(13,14)15)44-66(69)75-89-73(53-40-60(81(16,17)18)47-61(41-53)82(19,20)21)88-74(90-75)54-42-62(83(22,23)24)48-63(43-54)84(25,26)27/h2*28-50H,1-27H3;28-49H,1-27H3
InChIKeyLRQFPBIEEWEAOJ-UHFFFAOYSA-N
MW3630.41 g/mol
LogP69.71
Rot. Bonds21

About 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole

9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole (PubChem CID 159436458) has the molecular formula C254H311N19 and a molecular weight of 3630.41 g/mol. Its IUPAC name is 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole.

Molecular Properties

Compound Name9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole
PubChem CID159436458
Molecular FormulaC254H311N19
Molecular Weight3630.41 g/mol
Exact Mass3627.49
IUPAC Name9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/2C85H104N6.C84H103N7/c1-77(2,3)56-33-35-71-66(49-56)65-30-28-29-31-70(65)91(71)72-34-32-51(73-86-68(52-36-57(78(4,5)6)45-58(37-52)79(7,8)9)50-69(87-73)53-38-59(80(10,11)12)46-60(39-53)81(13,14)15)44-67(72)76-89-74(54-40-61(82(16,17)18)47-62(41-54)83(19,20)21)88-75(90-76)55-42-63(84(22,23)24)48-64(43-55)85(25,26)27;1-77(2,3)56-33-35-71-66(49-56)65-30-28-29-31-70(65)91(71)72-34-32-51(68-50-69(52-36-57(78(4,5)6)45-58(37-52)79(7,8)9)87-73(86-68)53-38-59(80(10,11)12)46-60(39-53)81(13,14)15)44-67(72)76-89-74(54-40-61(82(16,17)18)47-62(41-54)83(19,20)21)88-75(90-76)55-42-63(84(22,23)24)48-64(43-55)85(25,26)27;1-76(2,3)55-33-35-68-65(49-55)64-30-28-29-31-67(64)91(68)69-34-32-50(70-85-71(51-36-56(77(4,5)6)45-57(37-51)78(7,8)9)87-72(86-70)52-38-58(79(10,11)12)46-59(39-52)80(13,14)15)44-66(69)75-89-73(53-40-60(81(16,17)18)47-61(41-53)82(19,20)21)88-74(90-75)54-42-62(83(22,23)24)48-63(43-54)84(25,26)27/h2*28-50H,1-27H3;28-49H,1-27H3
InChIKeyLRQFPBIEEWEAOJ-UHFFFAOYSA-N
XLogP69.71
TPSA221.03 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms273
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003630.41
LogP ≤ 569.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole?
The IUPAC name of 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole (CID 159436458) is 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole.
What is the SMILES notation for 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole?
The canonical SMILES for 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole?
The InChIKey is LRQFPBIEEWEAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C85H104N6.C84H103N7/c1-77(2,3)56-33-35-71-66(49-56)65-30-28-29-31-70(65)91(71)72-34-32-51(73-86-68(52-36-57(78(4,5)6)45-58(37-52)79(7,8)9)50-69(87-73)53-38-59(80(10,11)12)46-60(39-53)81(13,14)15)44-67(72)76-89-74(54-40-61(82(16,17)18)47-62(41-54)83(19,20)21)88-75(90-76)55-42-63(84(22,23)24)48-64(43-55)85(25,26)27;1-77(2,3)56-33-35-71-66(49-56)65-30-28-29-31-70(65)91(71)72-34-32-51(68-50-69(52-36-57(78(4,5)6)45-58(37-52)79(7,8)9)87-73(86-68)53-38-59(80(10,11)12)46-60(39-53)81(13,14)15)44-67(72)76-89-74(54-40-61(82(16,17)18)47-62(41-54)83(19,20)21)88-75(90-76)55-42-63(84(22,23)24)48-64(43-55)85(25,26)27;1-76(2,3)55-33-35-68-65(49-55)64-30-28-29-31-67(64)91(68)69-34-32-50(70-85-71(51-36-56(77(4,5)6)45-57(37-51)78(7,8)9)87-72(86-70)52-38-58(79(10,11)12)46-59(39-52)80(13,14)15)44-66(69)75-89-73(53-40-60(81(16,17)18)47-61(41-53)82(19,20)21)88-74(90-75)54-42-62(83(22,23)24)48-63(43-54)84(25,26)27/h2*28-50H,1-27H3;28-49H,1-27H3.
What are the key properties of 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole?
9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole has a molecular weight of 3630.41 g/mol, XLogP of 69.71, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole is sourced from PubChem (CID 159436458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).