6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane

C63H56N4 — CID 142569190

IUPAC6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane
SMILESC=CC/C=C\C(=C)c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(C5=CC=CCC5)cc4c4cccc(-c5cccc(-c6cccc(C)c6-c6ccccc6C)c5)c43)n2)cc1C.CC
InChIInChI=1S/C61H50N4.C2H6/c1-6-7-10-20-40(2)50-35-33-49(37-43(50)5)60-62-59(45-25-13-9-14-26-45)63-61(64-60)65-56-36-34-46(44-23-11-8-12-24-44)39-55(56)54-32-19-31-53(58(54)65)48-28-18-27-47(38-48)52-30-17-22-42(4)57(52)51-29-16-15-21-41(51)3;1-2/h6,8-11,13-23,25-39H,1-2,7,12,24H2,3-5H3;1-2H3/b20-10-;
InChIKeyWOXUMDSWSLXMKN-NVMQZCJTSA-N
MW869.17 g/mol
LogP17.13
Rot. Bonds11

About 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane

6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane (PubChem CID 142569190) has the molecular formula C63H56N4 and a molecular weight of 869.17 g/mol. Its IUPAC name is 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane.

Molecular Properties

Compound Name6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane
PubChem CID142569190
Molecular FormulaC63H56N4
Molecular Weight869.17 g/mol
Exact Mass868.45
IUPAC Name6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane
SMILESC=CC/C=C\C(=C)c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(C5=CC=CCC5)cc4c4cccc(-c5cccc(-c6cccc(C)c6-c6ccccc6C)c5)c43)n2)cc1C.CC
InChIInChI=1S/C61H50N4.C2H6/c1-6-7-10-20-40(2)50-35-33-49(37-43(50)5)60-62-59(45-25-13-9-14-26-45)63-61(64-60)65-56-36-34-46(44-23-11-8-12-24-44)39-55(56)54-32-19-31-53(58(54)65)48-28-18-27-47(38-48)52-30-17-22-42(4)57(52)51-29-16-15-21-41(51)3;1-2/h6,8-11,13-23,25-39H,1-2,7,12,24H2,3-5H3;1-2H3/b20-10-;
InChIKeyWOXUMDSWSLXMKN-NVMQZCJTSA-N
XLogP17.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.17
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane 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-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
3-[8-[9-(3-cyclohexa-1,3-dien-1-ylphenyl)-6,7-dihydrocarbazol-3-yl]dibenzofuran-1-yl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 139421175
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
1-[9-[4-[(3Z)-hepta-1,3-dien-2-yl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 144884846
3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole
CID 145109868
1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700
8-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-22-[4-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 155205535
3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 145016968
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309800

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane?
The IUPAC name of 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane (CID 142569190) is 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane.
What is the SMILES notation for 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane?
The canonical SMILES for 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane is C=CC/C=C\C(=C)c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(C5=CC=CCC5)cc4c4cccc(-c5cccc(-c6cccc(C)c6-c6ccccc6C)c5)c43)n2)cc1C.CC.
What is the InChIKey of 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane?
The InChIKey is WOXUMDSWSLXMKN-NVMQZCJTSA-N. The full InChI is InChI=1S/C61H50N4.C2H6/c1-6-7-10-20-40(2)50-35-33-49(37-43(50)5)60-62-59(45-25-13-9-14-26-45)63-61(64-60)65-56-36-34-46(44-23-11-8-12-24-44)39-55(56)54-32-19-31-53(58(54)65)48-28-18-27-47(38-48)52-30-17-22-42(4)57(52)51-29-16-15-21-41(51)3;1-2/h6,8-11,13-23,25-39H,1-2,7,12,24H2,3-5H3;1-2H3/b20-10-;.
What are the key properties of 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane?
6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane has a molecular weight of 869.17 g/mol, XLogP of 17.13, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,3-dien-1-yl-9-[4-[4-[(3Z)-hepta-1,3,6-trien-2-yl]-3-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-[3-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]carbazole;ethane is sourced from PubChem (CID 142569190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).