3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole

C127H85N19 — CID 162203565

IUPAC3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)n2)cc1
InChIInChI=1S/C66H42N8.C61H43N11/c1-6-21-43(22-7-1)61-67-62(44-23-8-2-9-24-44)70-65(69-61)48-37-39-53-51-31-16-19-36-57(51)74(59(53)42-48)58-40-38-47(50-33-20-34-54-52-32-17-18-35-56(52)73(60(50)54)49-29-14-5-15-30-49)41-55(58)66-71-63(45-25-10-3-11-26-45)68-64(72-66)46-27-12-4-13-28-46;1-36-62-37(2)65-59(64-36)43-28-31-53-49(34-43)50-35-44(60-66-38(3)63-39(4)67-60)29-32-54(50)72(53)55-30-27-42(46-24-16-25-48-47-23-14-15-26-52(47)71(56(46)48)45-21-12-7-13-22-45)33-51(55)61-69-57(40-17-8-5-9-18-40)68-58(70-61)41-19-10-6-11-20-41/h1-42H;5-35H,1-4H3
InChIKeyZRWZRYAYRTUJJG-UHFFFAOYSA-N
MW1877.21 g/mol
LogP29.59
Rot. Bonds17

About 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole

3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole (PubChem CID 162203565) has the molecular formula C127H85N19 and a molecular weight of 1877.21 g/mol. Its IUPAC name is 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole
PubChem CID162203565
Molecular FormulaC127H85N19
Molecular Weight1877.21 g/mol
Exact Mass1875.72
IUPAC Name3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)n2)cc1
InChIInChI=1S/C66H42N8.C61H43N11/c1-6-21-43(22-7-1)61-67-62(44-23-8-2-9-24-44)70-65(69-61)48-37-39-53-51-31-16-19-36-57(51)74(59(53)42-48)58-40-38-47(50-33-20-34-54-52-32-17-18-35-56(52)73(60(50)54)49-29-14-5-15-30-49)41-55(58)66-71-63(45-25-10-3-11-26-45)68-64(72-66)46-27-12-4-13-28-46;1-36-62-37(2)65-59(64-36)43-28-31-53-49(34-43)50-35-44(60-66-38(3)63-39(4)67-60)29-32-54(50)72(53)55-30-27-42(46-24-16-25-48-47-23-14-15-26-52(47)71(56(46)48)45-21-12-7-13-22-45)33-51(55)61-69-57(40-17-8-5-9-18-40)68-58(70-61)41-19-10-6-11-20-41/h1-42H;5-35H,1-4H3
InChIKeyZRWZRYAYRTUJJG-UHFFFAOYSA-N
XLogP29.59
TPSA213.07 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.21
LogP ≤ 529.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole with MolForge

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Related Compounds

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
CID 138599572
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155233044
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 155628027
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanocarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155628228
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232535
3-[9-[2-carbazol-9-yl-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158333834
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155233047
3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161333862
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 148758940
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole (CID 162203565) is 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole is Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)n2)cc1.
What is the InChIKey of 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole?
The InChIKey is ZRWZRYAYRTUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N8.C61H43N11/c1-6-21-43(22-7-1)61-67-62(44-23-8-2-9-24-44)70-65(69-61)48-37-39-53-51-31-16-19-36-57(51)74(59(53)42-48)58-40-38-47(50-33-20-34-54-52-32-17-18-35-56(52)73(60(50)54)49-29-14-5-15-30-49)41-55(58)66-71-63(45-25-10-3-11-26-45)68-64(72-66)46-27-12-4-13-28-46;1-36-62-37(2)65-59(64-36)43-28-31-53-49(34-43)50-35-44(60-66-38(3)63-39(4)67-60)29-32-54(50)72(53)55-30-27-42(46-24-16-25-48-47-23-14-15-26-52(47)71(56(46)48)45-21-12-7-13-22-45)33-51(55)61-69-57(40-17-8-5-9-18-40)68-58(70-61)41-19-10-6-11-20-41/h1-42H;5-35H,1-4H3.
What are the key properties of 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole?
3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole has a molecular weight of 1877.21 g/mol, XLogP of 29.59, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 162203565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).