3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole

C64H50N4 — CID 129298706

IUPAC3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
SMILESCc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(C3=NC(C4C=CC=C(c5ccc6c(c5)c5cc(C7=CC=CCC7)ccc5n6-c5ccccc5)C4)N=C(c4ccccc4)N3)c2)c1
InChIInChI=1S/C64H50N4/c1-43-18-14-15-31-57(43)55-39-53(45-21-8-3-9-22-45)38-54(40-55)48-26-17-28-52(37-48)64-66-62(46-23-10-4-11-24-46)65-63(67-64)51-27-16-25-47(36-51)50-33-35-61-59(42-50)58-41-49(44-19-6-2-7-20-44)32-34-60(58)68(61)56-29-12-5-13-30-56/h2-6,8-19,21-35,37-42,51,63H,7,20,36H2,1H3,(H,65,66,67)
InChIKeyIAIOTBUXXWVWRL-UHFFFAOYSA-N
MW875.13 g/mol
LogP15.61
Rot. Bonds9

About 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole

3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole (PubChem CID 129298706) has the molecular formula C64H50N4 and a molecular weight of 875.13 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
PubChem CID129298706
Molecular FormulaC64H50N4
Molecular Weight875.13 g/mol
Exact Mass874.40
IUPAC Name3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
SMILESCc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(C3=NC(C4C=CC=C(c5ccc6c(c5)c5cc(C7=CC=CCC7)ccc5n6-c5ccccc5)C4)N=C(c4ccccc4)N3)c2)c1
InChIInChI=1S/C64H50N4/c1-43-18-14-15-31-57(43)55-39-53(45-21-8-3-9-22-45)38-54(40-55)48-26-17-28-52(37-48)64-66-62(46-23-10-4-11-24-46)65-63(67-64)51-27-16-25-47(36-51)50-33-35-61-59(42-50)58-41-49(44-19-6-2-7-20-44)32-34-60(58)68(61)56-29-12-5-13-30-56/h2-6,8-19,21-35,37-42,51,63H,7,20,36H2,1H3,(H,65,66,67)
InChIKeyIAIOTBUXXWVWRL-UHFFFAOYSA-N
XLogP15.61
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.13
LogP ≤ 515.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole with MolForge

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Related Compounds

3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 142356437
3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole
CID 163435129
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
3-phenyl-6-[6-phenyl-9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-[5-[3-[3-(3-phenylphenyl)-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]carbazole
CID 177124486
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
5-[2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]pyrimidin-4-yl]-3,9-diphenylcarbazole
CID 129298376
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236515
9-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 145085465
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544
11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
CID 130184198

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole (CID 129298706) is 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole is Cc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(C3=NC(C4C=CC=C(c5ccc6c(c5)c5cc(C7=CC=CCC7)ccc5n6-c5ccccc5)C4)N=C(c4ccccc4)N3)c2)c1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole?
The InChIKey is IAIOTBUXXWVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N4/c1-43-18-14-15-31-57(43)55-39-53(45-21-8-3-9-22-45)38-54(40-55)48-26-17-28-52(37-48)64-66-62(46-23-10-4-11-24-46)65-63(67-64)51-27-16-25-47(36-51)50-33-35-61-59(42-50)58-41-49(44-19-6-2-7-20-44)32-34-60(58)68(61)56-29-12-5-13-30-56/h2-6,8-19,21-35,37-42,51,63H,7,20,36H2,1H3,(H,65,66,67).
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole?
3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole has a molecular weight of 875.13 g/mol, XLogP of 15.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 129298706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).