8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole

C53H40N4 — CID 134431433

IUPAC8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(C2=CCCC=C2)c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c34)ccc21
InChIInChI=1S/C53H40N4/c1-53(2)43-27-14-15-28-46(43)56(39-22-10-5-11-23-39)48-33-38(29-31-44(48)53)41-25-16-26-42-50-40-24-13-12-17-35(40)30-32-47(50)57(51(41)42)49-34-45(36-18-6-3-7-19-36)54-52(55-49)37-20-8-4-9-21-37/h3-4,6-10,12-34H,5,11H2,1-2H3
InChIKeyOZUFJNRIUMHIQL-UHFFFAOYSA-N
MW732.93 g/mol
LogP13.74
Rot. Bonds5

About 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole

8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole (PubChem CID 134431433) has the molecular formula C53H40N4 and a molecular weight of 732.93 g/mol. Its IUPAC name is 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole.

Molecular Properties

Compound Name8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole
PubChem CID134431433
Molecular FormulaC53H40N4
Molecular Weight732.93 g/mol
Exact Mass732.33
IUPAC Name8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(C2=CCCC=C2)c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c34)ccc21
InChIInChI=1S/C53H40N4/c1-53(2)43-27-14-15-28-46(43)56(39-22-10-5-11-23-39)48-33-38(29-31-44(48)53)41-25-16-26-42-50-40-24-13-12-17-35(40)30-32-47(50)57(51(41)42)49-34-45(36-18-6-3-7-19-36)54-52(55-49)37-20-8-4-9-21-37/h3-4,6-10,12-34H,5,11H2,1-2H3
InChIKeyOZUFJNRIUMHIQL-UHFFFAOYSA-N
XLogP13.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
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
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 134431640
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
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
11-(5-cyclohexa-1,5-dien-1-yl-11,11-dimethyl-8H-cyclohepta[b]quinolin-3-yl)-7-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)cyclohexa-1,5-dien-1-yl]benzo[c]carbazole
CID 142324495
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369
13-(2,6-diphenylpyrimidin-4-yl)-21,21-dimethyl-13-azaheptacyclo[14.11.1.02,14.03,12.04,9.020,28.022,27]octacosa-1(28),2(14),3(12),4,6,8,10,15,17,19,22,24,26-tridecaene
CID 134510147
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 142571634
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole
CID 134431434

Frequently Asked Questions

What is the IUPAC name of 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole?
The IUPAC name of 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole (CID 134431433) is 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole.
What is the SMILES notation for 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole?
The canonical SMILES for 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole is CC1(C)c2ccccc2N(C2=CCCC=C2)c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c34)ccc21.
What is the InChIKey of 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole?
The InChIKey is OZUFJNRIUMHIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N4/c1-53(2)43-27-14-15-28-46(43)56(39-22-10-5-11-23-39)48-33-38(29-31-44(48)53)41-25-16-26-42-50-40-24-13-12-17-35(40)30-32-47(50)57(51(41)42)49-34-45(36-18-6-3-7-19-36)54-52(55-49)37-20-8-4-9-21-37/h3-4,6-10,12-34H,5,11H2,1-2H3.
What are the key properties of 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole?
8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole has a molecular weight of 732.93 g/mol, XLogP of 13.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole is sourced from PubChem (CID 134431433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).