13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine

C60H43N5O — CID 155356618

IUPAC13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine
SMILESCC1(C)c2ccccc2N(C2=CCCC=C2)c2c1ccc1c2c2cc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)ccc2n1-c1ccccc1
InChIInChI=1S/C60H43N5O/c1-60(2)48-31-15-16-32-51(48)65(42-25-13-6-14-26-42)54-49(60)34-36-52-53(54)47-37-40(33-35-50(47)64(52)41-23-11-5-12-24-41)43-27-17-28-44-45-29-18-30-46(56(45)66-55(43)44)59-62-57(38-19-7-3-8-20-38)61-58(63-59)39-21-9-4-10-22-39/h3-5,7-13,15-37H,6,14H2,1-2H3
InChIKeyZKJURVRNJCDFRJ-UHFFFAOYSA-N
MW850.04 g/mol
LogP15.55
Rot. Bonds6

About 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine

13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine (PubChem CID 155356618) has the molecular formula C60H43N5O and a molecular weight of 850.04 g/mol. Its IUPAC name is 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine.

Molecular Properties

Compound Name13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine
PubChem CID155356618
Molecular FormulaC60H43N5O
Molecular Weight850.04 g/mol
Exact Mass849.35
IUPAC Name13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine
SMILESCC1(C)c2ccccc2N(C2=CCCC=C2)c2c1ccc1c2c2cc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)ccc2n1-c1ccccc1
InChIInChI=1S/C60H43N5O/c1-60(2)48-31-15-16-32-51(48)65(42-25-13-6-14-26-42)54-49(60)34-36-52-53(54)47-37-40(33-35-50(47)64(52)41-23-11-5-12-24-41)43-27-17-28-44-45-29-18-30-46(56(45)66-55(43)44)59-62-57(38-19-7-3-8-20-38)61-58(63-59)39-21-9-4-10-22-39/h3-5,7-13,15-37H,6,14H2,1-2H3
InChIKeyZKJURVRNJCDFRJ-UHFFFAOYSA-N
XLogP15.55
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.04
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine with MolForge

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Related Compounds

8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole
CID 134431433
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,7-diphenylindolo[2,3-b]carbazole
CID 118020105
3-[6-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155401241
14,14-dimethyl-9-[3-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014421
2-dibenzofuran-3-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541281
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole
CID 134431911
8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167232919
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 159018235
3-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 168770097

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine?
The IUPAC name of 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine (CID 155356618) is 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine.
What is the SMILES notation for 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine?
The canonical SMILES for 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine is CC1(C)c2ccccc2N(C2=CCCC=C2)c2c1ccc1c2c2cc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)ccc2n1-c1ccccc1.
What is the InChIKey of 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine?
The InChIKey is ZKJURVRNJCDFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N5O/c1-60(2)48-31-15-16-32-51(48)65(42-25-13-6-14-26-42)54-49(60)34-36-52-53(54)47-37-40(33-35-50(47)64(52)41-23-11-5-12-24-41)43-27-17-28-44-45-29-18-30-46(56(45)66-55(43)44)59-62-57(38-19-7-3-8-20-38)61-58(63-59)39-21-9-4-10-22-39/h3-5,7-13,15-37H,6,14H2,1-2H3.
What are the key properties of 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine?
13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine has a molecular weight of 850.04 g/mol, XLogP of 15.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexa-1,5-dien-1-yl-2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-8,8-dimethyl-5-phenylindolo[2,3-c]acridine is sourced from PubChem (CID 155356618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).