12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole

C66H40N8O — CID 164927456

IUPAC12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c([2H])c1[2H]
InChIInChI=1S/C66H40N8O/c1-5-19-41(20-6-1)61-68-64(70-65(69-61)45-34-38-58-51(39-45)48-28-15-18-32-57(48)75-58)44-33-36-55(52(40-44)66-71-62(42-21-7-2-8-22-42)67-63(72-66)43-23-9-3-10-24-43)74-53-30-16-13-27-47(53)49-35-37-56-59(60(49)74)50-29-14-17-31-54(50)73(56)46-25-11-4-12-26-46/h1-40H/i4D,11D,12D,25D,26D
InChIKeyITNDHWPDQHGXEM-PWYIDPLXSA-N
MW966.13 g/mol
LogP16.15
Rot. Bonds8

About 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole

12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole (PubChem CID 164927456) has the molecular formula C66H40N8O and a molecular weight of 966.13 g/mol. Its IUPAC name is 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole
PubChem CID164927456
Molecular FormulaC66H40N8O
Molecular Weight966.13 g/mol
Exact Mass965.36
IUPAC Name12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c([2H])c1[2H]
InChIInChI=1S/C66H40N8O/c1-5-19-41(20-6-1)61-68-64(70-65(69-61)45-34-38-58-51(39-45)48-28-15-18-32-57(48)75-58)44-33-36-55(52(40-44)66-71-62(42-21-7-2-8-22-42)67-63(72-66)43-23-9-3-10-24-43)74-53-30-16-13-27-47(53)49-35-37-56-59(60(49)74)50-29-14-17-31-54(50)73(56)46-25-11-4-12-26-46/h1-40H/i4D,11D,12D,25D,26D
InChIKeyITNDHWPDQHGXEM-PWYIDPLXSA-N
XLogP16.15
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.13
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole with MolForge

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Related Compounds

5-dibenzofuran-2-yl-12-[4-[4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 164927571
12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 162424757
9-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162486334
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
5-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 90085731
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162486312
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169036896
12-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 146281049
3-[8-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 168769843
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;9-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162138732
5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 165165860
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165585

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole (CID 164927456) is 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c([2H])c1[2H].
What is the InChIKey of 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole?
The InChIKey is ITNDHWPDQHGXEM-PWYIDPLXSA-N. The full InChI is InChI=1S/C66H40N8O/c1-5-19-41(20-6-1)61-68-64(70-65(69-61)45-34-38-58-51(39-45)48-28-15-18-32-57(48)75-58)44-33-36-55(52(40-44)66-71-62(42-21-7-2-8-22-42)67-63(72-66)43-23-9-3-10-24-43)74-53-30-16-13-27-47(53)49-35-37-56-59(60(49)74)50-29-14-17-31-54(50)73(56)46-25-11-4-12-26-46/h1-40H/i4D,11D,12D,25D,26D.
What are the key properties of 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole?
12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole has a molecular weight of 966.13 g/mol, XLogP of 16.15, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 164927456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).