9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

C56H46N8 — CID 163501090

IUPAC9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(C)nc(C)n2)cc1-c1cccc(-c2ccc(-c3nc(C)nc(C)n3)cc2-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C56H46N8/c1-31-12-19-50-45(24-31)46-25-32(2)13-20-51(46)63(50)49-23-17-41(55-59-35(5)57-36(6)60-55)29-44(49)40-11-9-10-39(28-40)43-18-16-42(56-61-37(7)58-38(8)62-56)30-54(43)64-52-21-14-33(3)26-47(52)48-27-34(4)15-22-53(48)64/h9-30H,1-8H3
InChIKeyZSMGZBFYUQXEFY-UHFFFAOYSA-N
MW831.04 g/mol
LogP13.39
Rot. Bonds6

About 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 163501090) has the molecular formula C56H46N8 and a molecular weight of 831.04 g/mol. Its IUPAC name is 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
PubChem CID163501090
Molecular FormulaC56H46N8
Molecular Weight831.04 g/mol
Exact Mass830.38
IUPAC Name9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(C)nc(C)n2)cc1-c1cccc(-c2ccc(-c3nc(C)nc(C)n3)cc2-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C56H46N8/c1-31-12-19-50-45(24-31)46-25-32(2)13-20-51(46)63(50)49-23-17-41(55-59-35(5)57-36(6)60-55)29-44(49)40-11-9-10-39(28-40)43-18-16-42(56-61-37(7)58-38(8)62-56)30-54(43)64-52-21-14-33(3)26-47(52)48-27-34(4)15-22-53(48)64/h9-30H,1-8H3
InChIKeyZSMGZBFYUQXEFY-UHFFFAOYSA-N
XLogP13.39
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.04
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole with MolForge

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Related Compounds

9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163586496
9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 163902535
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole
CID 159095382
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163536109
9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 157346069
9-[2-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162500488
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 137414587
9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 162500648
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138
9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 153432225
9-[2-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 162500791
9-[4-(4,6-dimethylpyrimidin-2-yl)-2-(3,5-diphenylphenyl)phenyl]-3-methylcarbazole
CID 153396357

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (CID 163501090) is 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(C)nc(C)n2)cc1-c1cccc(-c2ccc(-c3nc(C)nc(C)n3)cc2-n2c3ccc(C)cc3c3cc(C)ccc32)c1.
What is the InChIKey of 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is ZSMGZBFYUQXEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N8/c1-31-12-19-50-45(24-31)46-25-32(2)13-20-51(46)63(50)49-23-17-41(55-59-35(5)57-36(6)60-55)29-44(49)40-11-9-10-39(28-40)43-18-16-42(56-61-37(7)58-38(8)62-56)30-54(43)64-52-21-14-33(3)26-47(52)48-27-34(4)15-22-53(48)64/h9-30H,1-8H3.
What are the key properties of 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 831.04 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 163501090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).