1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole

C52H32N4O — CID 168770102

IUPAC1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILES[2H]c1cc([2H])c2c(c1)c1c([2H])c([2H])c3c4cc([2H])cc([2H])c4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cccc6c5c4)c3c1n2-c1ccccc1
InChIInChI=1S/C52H32N4O/c1-4-15-33(16-5-1)44-32-45(34-17-6-2-7-18-34)54-52(53-44)42-24-14-23-41-43-31-36(27-30-48(43)57-51(41)42)56-47-26-13-11-22-38(47)40-29-28-39-37-21-10-12-25-46(37)55(49(39)50(40)56)35-19-8-3-9-20-35/h1-32H/i10D,11D,25D,26D,28D,29D
InChIKeyMMMWOWGWZDZADX-SWBRQGBTSA-N
MW734.89 g/mol
LogP13.57
Rot. Bonds5

About 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole

1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 168770102) has the molecular formula C52H32N4O and a molecular weight of 734.89 g/mol. Its IUPAC name is 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID168770102
Molecular FormulaC52H32N4O
Molecular Weight734.89 g/mol
Exact Mass734.30
IUPAC Name1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILES[2H]c1cc([2H])c2c(c1)c1c([2H])c([2H])c3c4cc([2H])cc([2H])c4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cccc6c5c4)c3c1n2-c1ccccc1
InChIInChI=1S/C52H32N4O/c1-4-15-33(16-5-1)44-32-45(34-17-6-2-7-18-34)54-52(53-44)42-24-14-23-41-43-31-36(27-30-48(43)57-51(41)42)56-47-26-13-11-22-38(47)40-29-28-39-37-21-10-12-25-46(37)55(49(39)50(40)56)35-19-8-3-9-20-35/h1-32H/i10D,11D,25D,26D,28D,29D
InChIKeyMMMWOWGWZDZADX-SWBRQGBTSA-N
XLogP13.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.89
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 169059479
3-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451963
9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080240
1,2,3,4,6,7,8-heptadeuterio-5-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176767081
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
CID 171591444
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 118595440
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 162699405
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyrimidine
CID 166952923
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 177268193
12-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168896
2-[3-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 130465762

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole (CID 168770102) is 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole is [2H]c1cc([2H])c2c(c1)c1c([2H])c([2H])c3c4cc([2H])cc([2H])c4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cccc6c5c4)c3c1n2-c1ccccc1.
What is the InChIKey of 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is MMMWOWGWZDZADX-SWBRQGBTSA-N. The full InChI is InChI=1S/C52H32N4O/c1-4-15-33(16-5-1)44-32-45(34-17-6-2-7-18-34)54-52(53-44)42-24-14-23-41-43-31-36(27-30-48(43)57-51(41)42)56-47-26-13-11-22-38(47)40-29-28-39-37-21-10-12-25-46(37)55(49(39)50(40)56)35-19-8-3-9-20-35/h1-32H/i10D,11D,25D,26D,28D,29D.
What are the key properties of 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole?
1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 734.89 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 168770102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).