10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine

C60H44N4O — CID 146581785

IUPAC10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2cccc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(C6C=CC=CC6)n5)cccc34)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C60H44N4O/c1-60(2)51-37-43(39-18-7-3-8-19-39)32-34-53(51)64(54-35-33-44(38-52(54)60)40-20-9-4-10-21-40)46-27-15-26-45(36-46)47-28-16-29-48-49-30-17-31-50(56(49)65-55(47)48)59-62-57(41-22-11-5-12-23-41)61-58(63-59)42-24-13-6-14-25-42/h3-24,26-38,42H,25H2,1-2H3
InChIKeyNLTHKNLMVZUITL-UHFFFAOYSA-N
MW837.04 g/mol
LogP15.81
Rot. Bonds7

About 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine

10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine (PubChem CID 146581785) has the molecular formula C60H44N4O and a molecular weight of 837.04 g/mol. Its IUPAC name is 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine.

Molecular Properties

Compound Name10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine
PubChem CID146581785
Molecular FormulaC60H44N4O
Molecular Weight837.04 g/mol
Exact Mass836.35
IUPAC Name10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2cccc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(C6C=CC=CC6)n5)cccc34)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C60H44N4O/c1-60(2)51-37-43(39-18-7-3-8-19-39)32-34-53(51)64(54-35-33-44(38-52(54)60)40-20-9-4-10-21-40)46-27-15-26-45(36-46)47-28-16-29-48-49-30-17-31-50(56(49)65-55(47)48)59-62-57(41-22-11-5-12-23-41)61-58(63-59)42-24-13-6-14-25-42/h3-24,26-38,42H,25H2,1-2H3
InChIKeyNLTHKNLMVZUITL-UHFFFAOYSA-N
XLogP15.81
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.04
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine with MolForge

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Related Compounds

2-cyclohexa-2,4-dien-1-yl-4-(6-phenanthren-9-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 142343130
10-[4-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 163739156
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078
2-dibenzofuran-4-yl-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 70936203
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
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
9-[4-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenyl-9H-carbazol-9-ium
CID 163811390
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
2-cyclohexa-2,4-dien-1-yl-4-[3-[3-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146669719
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
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170

Frequently Asked Questions

What is the IUPAC name of 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine?
The IUPAC name of 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine (CID 146581785) is 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine.
What is the SMILES notation for 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine?
The canonical SMILES for 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine is CC1(C)c2cc(-c3ccccc3)ccc2N(c2cccc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(C6C=CC=CC6)n5)cccc34)c2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine?
The InChIKey is NLTHKNLMVZUITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N4O/c1-60(2)51-37-43(39-18-7-3-8-19-39)32-34-53(51)64(54-35-33-44(38-52(54)60)40-20-9-4-10-21-40)46-27-15-26-45(36-46)47-28-16-29-48-49-30-17-31-50(56(49)65-55(47)48)59-62-57(41-22-11-5-12-23-41)61-58(63-59)42-24-13-6-14-25-42/h3-24,26-38,42H,25H2,1-2H3.
What are the key properties of 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine?
10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine has a molecular weight of 837.04 g/mol, XLogP of 15.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine is sourced from PubChem (CID 146581785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).