11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole

C63H41N5O2 — CID 156574749

IUPAC11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4oc5c(-n6c7c(c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c86)C=CCC7)cccc5c34)n2)C=C1
InChIInChI=1S/C63H41N5O2/c1-4-17-38(18-5-1)61-64-62(39-19-6-2-7-20-39)66-63(65-61)49-35-32-42(40-31-36-55-50(37-40)45-25-12-15-30-54(45)69-55)60-56(49)48-26-16-29-53(59(48)70-60)68-52-28-14-11-24-44(52)47-34-33-46-43-23-10-13-27-51(43)67(57(46)58(47)68)41-21-8-3-9-22-41/h1-13,15-19,21-27,29-37,39H,14,20,28H2
InChIKeyCXKCWORMSDAUIH-UHFFFAOYSA-N
MW900.05 g/mol
LogP16.27
Rot. Bonds6

About 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole

11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole (PubChem CID 156574749) has the molecular formula C63H41N5O2 and a molecular weight of 900.05 g/mol. Its IUPAC name is 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole
PubChem CID156574749
Molecular FormulaC63H41N5O2
Molecular Weight900.05 g/mol
Exact Mass899.33
IUPAC Name11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4oc5c(-n6c7c(c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c86)C=CCC7)cccc5c34)n2)C=C1
InChIInChI=1S/C63H41N5O2/c1-4-17-38(18-5-1)61-64-62(39-19-6-2-7-20-39)66-63(65-61)49-35-32-42(40-31-36-55-50(37-40)45-25-12-15-30-54(45)69-55)60-56(49)48-26-16-29-53(59(48)70-60)68-52-28-14-11-24-44(52)47-34-33-46-43-23-10-13-27-51(43)67(57(46)58(47)68)41-21-8-3-9-22-41/h1-13,15-19,21-27,29-37,39H,14,20,28H2
InChIKeyCXKCWORMSDAUIH-UHFFFAOYSA-N
XLogP16.27
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.05
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole with MolForge

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Related Compounds

12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 168721837
9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
CID 163775601
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 118507599
12'-[4-(4-cyclohexa-2,4-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 166875120
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole
CID 170144355
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
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
CID 126656547
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078
7-[5-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 171771513

Frequently Asked Questions

What is the IUPAC name of 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole (CID 156574749) is 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole is C1=CCC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4oc5c(-n6c7c(c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c86)C=CCC7)cccc5c34)n2)C=C1.
What is the InChIKey of 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole?
The InChIKey is CXKCWORMSDAUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5O2/c1-4-17-38(18-5-1)61-64-62(39-19-6-2-7-20-39)66-63(65-61)49-35-32-42(40-31-36-55-50(37-40)45-25-12-15-30-54(45)69-55)60-56(49)48-26-16-29-53(59(48)70-60)68-52-28-14-11-24-44(52)47-34-33-46-43-23-10-13-27-51(43)67(57(46)58(47)68)41-21-8-3-9-22-41/h1-13,15-19,21-27,29-37,39H,14,20,28H2.
What are the key properties of 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole?
11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole has a molecular weight of 900.05 g/mol, XLogP of 16.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 156574749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).