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

C75H79N5 — CID 166751428

IUPAC3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESCC1=CC=CCC1c1cccc(C2N=C(c3ccccc3)NC(c3cccc(C4C=CC=CC4C)c3-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)=N2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C75H79N5/c1-46-24-18-20-28-53(46)55-30-22-32-57(67(55)79-63-38-34-49(72(3,4)5)42-59(63)60-43-50(73(6,7)8)35-39-64(60)79)70-76-69(48-26-16-15-17-27-48)77-71(78-70)58-33-23-31-56(54-29-21-19-25-47(54)2)68(58)80-65-40-36-51(74(9,10)11)44-61(65)62-45-52(75(12,13)14)37-41-66(62)80/h15-28,30-46,53-54,71H,29H2,1-14H3,(H,76,77,78)
InChIKeyOBGGDQSPXIRKOK-UHFFFAOYSA-N
MW1050.49 g/mol
LogP19.40
Rot. Bonds7

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

3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (PubChem CID 166751428) has the molecular formula C75H79N5 and a molecular weight of 1050.49 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
PubChem CID166751428
Molecular FormulaC75H79N5
Molecular Weight1050.49 g/mol
Exact Mass1049.63
IUPAC Name3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
SMILESCC1=CC=CCC1c1cccc(C2N=C(c3ccccc3)NC(c3cccc(C4C=CC=CC4C)c3-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)=N2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C75H79N5/c1-46-24-18-20-28-53(46)55-30-22-32-57(67(55)79-63-38-34-49(72(3,4)5)42-59(63)60-43-50(73(6,7)8)35-39-64(60)79)70-76-69(48-26-16-15-17-27-48)77-71(78-70)58-33-23-31-56(54-29-21-19-25-47(54)2)68(58)80-65-40-36-51(74(9,10)11)44-61(65)62-45-52(75(12,13)14)37-41-66(62)80/h15-28,30-46,53-54,71H,29H2,1-14H3,(H,76,77,78)
InChIKeyOBGGDQSPXIRKOK-UHFFFAOYSA-N
XLogP19.40
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.49
LogP ≤ 519.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]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
9-[9-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]-4a,9a-dihydrocarbazole
CID 166962602
5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155037887
5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 123991546
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-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166916359
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-diphenyl-9-[2-(2-phenyl-6-triphenylen-2-yl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 170067682
7-cyclohexa-1,3-dien-1-yl-4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzothiolo[2,3-b]carbazole
CID 118204248
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
11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167233530
5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 144947118

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole (CID 166751428) is 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is CC1=CC=CCC1c1cccc(C2N=C(c3ccccc3)NC(c3cccc(C4C=CC=CC4C)c3-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)=N2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
The InChIKey is OBGGDQSPXIRKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H79N5/c1-46-24-18-20-28-53(46)55-30-22-32-57(67(55)79-63-38-34-49(72(3,4)5)42-59(63)60-43-50(73(6,7)8)35-39-64(60)79)70-76-69(48-26-16-15-17-27-48)77-71(78-70)58-33-23-31-56(54-29-21-19-25-47(54)2)68(58)80-65-40-36-51(74(9,10)11)44-61(65)62-45-52(75(12,13)14)37-41-66(62)80/h15-28,30-46,53-54,71H,29H2,1-14H3,(H,76,77,78).
What are the key properties of 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole?
3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole has a molecular weight of 1050.49 g/mol, XLogP of 19.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole is sourced from PubChem (CID 166751428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).