3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole

C74H75N5 — CID 166751453

IUPAC3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
SMILESCC1C=C(c2nc(-c3cccc(-c4ccccc4)c3-n3c4c(c5cc(C(C)(C)C)ccc53)C=C(C(C)(C)C)CC4)nc(-c3cccc(-c4ccccc4)c3-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)n2)C=CC1
InChIInChI=1S/C74H75N5/c1-46-23-20-28-49(41-46)68-75-69(56-31-21-29-54(47-24-16-14-17-25-47)66(56)78-62-37-33-50(71(2,3)4)42-58(62)59-43-51(72(5,6)7)34-38-63(59)78)77-70(76-68)57-32-22-30-55(48-26-18-15-19-27-48)67(57)79-64-39-35-52(73(8,9)10)44-60(64)61-45-53(74(11,12)13)36-40-65(61)79/h14-22,24-35,37-39,41-46H,23,36,40H2,1-13H3
InChIKeyFDPRBHYAGNJFFY-UHFFFAOYSA-N
MW1034.45 g/mol
LogP19.83
Rot. Bonds7

About 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole

3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole (PubChem CID 166751453) has the molecular formula C74H75N5 and a molecular weight of 1034.45 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
PubChem CID166751453
Molecular FormulaC74H75N5
Molecular Weight1034.45 g/mol
Exact Mass1033.60
IUPAC Name3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
SMILESCC1C=C(c2nc(-c3cccc(-c4ccccc4)c3-n3c4c(c5cc(C(C)(C)C)ccc53)C=C(C(C)(C)C)CC4)nc(-c3cccc(-c4ccccc4)c3-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)n2)C=CC1
InChIInChI=1S/C74H75N5/c1-46-23-20-28-49(41-46)68-75-69(56-31-21-29-54(47-24-16-14-17-25-47)66(56)78-62-37-33-50(71(2,3)4)42-58(62)59-43-51(72(5,6)7)34-38-63(59)78)77-70(76-68)57-32-22-30-55(48-26-18-15-19-27-48)67(57)79-64-39-35-52(73(8,9)10)44-60(64)61-45-53(74(11,12)13)36-40-65(61)79/h14-22,24-35,37-39,41-46H,23,36,40H2,1-13H3
InChIKeyFDPRBHYAGNJFFY-UHFFFAOYSA-N
XLogP19.83
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.45
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole with MolForge

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Related Compounds

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole
CID 142560218
9-[2,4-bis(3,6-ditert-butylcarbazol-9-yl)-5-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3,6-difluorophenyl]-3,6-ditert-butylcarbazole
CID 163703985
3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146280466
3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146281005
3,6-ditert-butyl-9-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153459784
3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
CID 158060899
9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenyl-1,2-dihydrocarbazole
CID 167149683
2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 163629155
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 166695966
9-[2-cyclohexa-1,5-dien-1-yl-4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
CID 177276855
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole (CID 166751453) is 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole is CC1C=C(c2nc(-c3cccc(-c4ccccc4)c3-n3c4c(c5cc(C(C)(C)C)ccc53)C=C(C(C)(C)C)CC4)nc(-c3cccc(-c4ccccc4)c3-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)n2)C=CC1.
What is the InChIKey of 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?
The InChIKey is FDPRBHYAGNJFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H75N5/c1-46-23-20-28-49(41-46)68-75-69(56-31-21-29-54(47-24-16-14-17-25-47)66(56)78-62-37-33-50(71(2,3)4)42-58(62)59-43-51(72(5,6)7)34-38-63(59)78)77-70(76-68)57-32-22-30-55(48-26-18-15-19-27-48)67(57)79-64-39-35-52(73(8,9)10)44-60(64)61-45-53(74(11,12)13)36-40-65(61)79/h14-22,24-35,37-39,41-46H,23,36,40H2,1-13H3.
What are the key properties of 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?
3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole has a molecular weight of 1034.45 g/mol, XLogP of 19.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butyl-1,2-dihydrocarbazol-9-yl)-3-phenylphenyl]-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole is sourced from PubChem (CID 166751453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).