3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole

C84H57N7 — CID 118299259

IUPAC3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole
SMILESCc1ccc(-c2nc(-c3ccc(C)c(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)nc(-c3ccc(C)c(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C84H57N7/c1-52-36-40-55(41-37-52)82-85-83(56-42-38-53(2)68(48-56)66-28-18-34-78-80(66)70-50-60(44-46-76(70)88(78)58-20-6-4-7-21-58)90-72-30-14-10-24-62(72)63-25-11-15-31-73(63)90)87-84(86-82)57-43-39-54(3)69(49-57)67-29-19-35-79-81(67)71-51-61(45-47-77(71)89(79)59-22-8-5-9-23-59)91-74-32-16-12-26-64(74)65-27-13-17-33-75(65)91/h4-51H,1-3H3
InChIKeyGZDFDPFCJWWVFX-UHFFFAOYSA-N
MW1164.43 g/mol
LogP21.52
Rot. Bonds9

About 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole

3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole (PubChem CID 118299259) has the molecular formula C84H57N7 and a molecular weight of 1164.43 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole
PubChem CID118299259
Molecular FormulaC84H57N7
Molecular Weight1164.43 g/mol
Exact Mass1163.47
IUPAC Name3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole
SMILESCc1ccc(-c2nc(-c3ccc(C)c(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)nc(-c3ccc(C)c(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C84H57N7/c1-52-36-40-55(41-37-52)82-85-83(56-42-38-53(2)68(48-56)66-28-18-34-78-80(66)70-50-60(44-46-76(70)88(78)58-20-6-4-7-21-58)90-72-30-14-10-24-62(72)63-25-11-15-31-73(63)90)87-84(86-82)57-43-39-54(3)69(49-57)67-29-19-35-79-81(67)71-51-61(45-47-77(71)89(79)59-22-8-5-9-23-59)91-74-32-16-12-26-64(74)65-27-13-17-33-75(65)91/h4-51H,1-3H3
InChIKeyGZDFDPFCJWWVFX-UHFFFAOYSA-N
XLogP21.52
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001164.43
LogP ≤ 521.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole with MolForge

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Related Compounds

5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-carbazol-9-yl-9-phenylcarbazole;5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-phenyl-9-(3-phenylphenyl)carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3-phenyl-9-(4-phenylphenyl)carbazole
CID 160866915
3-(3,6-dimethylcarbazol-9-yl)-5-[5-[4-[3-[6-(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazol-4-yl]-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-(4-methylphenyl)carbazole
CID 118299260
5-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-3,9-diphenylcarbazole
CID 159515850
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[4-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158213492
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;9-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
CID 161152563

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole?
The IUPAC name of 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole (CID 118299259) is 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole?
The canonical SMILES for 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole is Cc1ccc(-c2nc(-c3ccc(C)c(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)nc(-c3ccc(C)c(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole?
The InChIKey is GZDFDPFCJWWVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H57N7/c1-52-36-40-55(41-37-52)82-85-83(56-42-38-53(2)68(48-56)66-28-18-34-78-80(66)70-50-60(44-46-76(70)88(78)58-20-6-4-7-21-58)90-72-30-14-10-24-62(72)63-25-11-15-31-73(63)90)87-84(86-82)57-43-39-54(3)69(49-57)67-29-19-35-79-81(67)71-51-61(45-47-77(71)89(79)59-22-8-5-9-23-59)91-74-32-16-12-26-64(74)65-27-13-17-33-75(65)91/h4-51H,1-3H3.
What are the key properties of 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole?
3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole has a molecular weight of 1164.43 g/mol, XLogP of 21.52, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-[5-[4-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)-4-methylphenyl]-6-(4-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 118299259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).