2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole

C57H46N4O — CID 163771749

IUPAC2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole
SMILESC1=CCCC(C2=Cc3c(c4ccc(-c5ccccc5)cc4n3-c3ccc4c5c(oc4c3)C=CCC5c3nc(C4=CC(c5ccccc5)=CCC4)nc(C4C=CC=CC4)n3)CC2)=C1
InChIInChI=1S/C57H46N4O/c1-5-15-37(16-6-1)41-23-13-24-44(33-41)56-58-55(40-21-11-4-12-22-40)59-57(60-56)49-25-14-26-52-54(49)48-32-29-45(36-53(48)62-52)61-50-34-42(38-17-7-2-8-18-38)27-30-46(50)47-31-28-43(35-51(47)61)39-19-9-3-10-20-39/h1-9,11-12,14-19,21,23,26-27,29-30,32-36,40,49H,10,13,20,22,24-25,28,31H2
InChIKeyMHAUQLHBYRFPAN-UHFFFAOYSA-N
MW803.02 g/mol
LogP14.24
Rot. Bonds7

About 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole

2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole (PubChem CID 163771749) has the molecular formula C57H46N4O and a molecular weight of 803.02 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole
PubChem CID163771749
Molecular FormulaC57H46N4O
Molecular Weight803.02 g/mol
Exact Mass802.37
IUPAC Name2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole
SMILESC1=CCCC(C2=Cc3c(c4ccc(-c5ccccc5)cc4n3-c3ccc4c5c(oc4c3)C=CCC5c3nc(C4=CC(c5ccccc5)=CCC4)nc(C4C=CC=CC4)n3)CC2)=C1
InChIInChI=1S/C57H46N4O/c1-5-15-37(16-6-1)41-23-13-24-44(33-41)56-58-55(40-21-11-4-12-22-40)59-57(60-56)49-25-14-26-52-54(49)48-32-29-45(36-53(48)62-52)61-50-34-42(38-17-7-2-8-18-38)27-30-46(50)47-31-28-43(35-51(47)61)39-19-9-3-10-20-39/h1-9,11-12,14-19,21,23,26-27,29-30,32-36,40,49H,10,13,20,22,24-25,28,31H2
InChIKeyMHAUQLHBYRFPAN-UHFFFAOYSA-N
XLogP14.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole with MolForge

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Related Compounds

12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 167200849
6-cyclohexa-1,3-dien-1-yl-9-[9-(2,6-diphenylpyrimidin-4-yl)-8,9-dihydrodibenzofuran-4-yl]-2-phenylcarbazole
CID 166860030
9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
CID 163775601
2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170424184
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[5-[6-(8-phenyldibenzothiophen-3-yl)dibenzofuran-1-yl]cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
CID 166744488
9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 88869766
7-[5-[5-(6-cyclohexa-1,3-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,3-dien-1-yl]-5,6,7,8-tetrahydrotriphenylen-2-yl]-9-naphthalen-2-yl-3,4-dihydrocarbazole
CID 155198092
2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167113591
3-cyclohexa-1,3-dien-1-yl-9-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,2-dihydrocarbazole
CID 155365128
2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
CID 146334331
2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 166744328
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole (CID 163771749) is 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole is C1=CCCC(C2=Cc3c(c4ccc(-c5ccccc5)cc4n3-c3ccc4c5c(oc4c3)C=CCC5c3nc(C4=CC(c5ccccc5)=CCC4)nc(C4C=CC=CC4)n3)CC2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole?
The InChIKey is MHAUQLHBYRFPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46N4O/c1-5-15-37(16-6-1)41-23-13-24-44(33-41)56-58-55(40-21-11-4-12-22-40)59-57(60-56)49-25-14-26-52-54(49)48-32-29-45(36-53(48)62-52)61-50-34-42(38-17-7-2-8-18-38)27-30-46(50)47-31-28-43(35-51(47)61)39-19-9-3-10-20-39/h1-9,11-12,14-19,21,23,26-27,29-30,32-36,40,49H,10,13,20,22,24-25,28,31H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole?
2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole has a molecular weight of 803.02 g/mol, XLogP of 14.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-9-[9-[4-cyclohexa-2,4-dien-1-yl-6-(3-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-7-phenyl-3,4-dihydrocarbazole is sourced from PubChem (CID 163771749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).