9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole

C60H37N3O — CID 146337911

IUPAC9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c23)cc1
InChIInChI=1S/C60H37N3O/c1-3-13-38(14-4-1)44-29-31-54-50(35-44)51-36-45(39-15-5-2-6-16-39)30-32-55(51)63(54)56-23-11-21-48-58-49(22-12-24-57(58)64-59(48)56)60-61-52(46-27-25-40-17-7-9-19-42(40)33-46)37-53(62-60)47-28-26-41-18-8-10-20-43(41)34-47/h1-37H
InChIKeyLCUZXOOKIPYMBY-UHFFFAOYSA-N
MW815.98 g/mol
LogP16.11
Rot. Bonds6

About 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole

9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole (PubChem CID 146337911) has the molecular formula C60H37N3O and a molecular weight of 815.98 g/mol. Its IUPAC name is 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
PubChem CID146337911
Molecular FormulaC60H37N3O
Molecular Weight815.98 g/mol
Exact Mass815.29
IUPAC Name9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c23)cc1
InChIInChI=1S/C60H37N3O/c1-3-13-38(14-4-1)44-29-31-54-50(35-44)51-36-45(39-15-5-2-6-16-39)30-32-55(51)63(54)56-23-11-21-48-58-49(22-12-24-57(58)64-59(48)56)60-61-52(46-27-25-40-17-7-9-19-42(40)33-46)37-53(62-60)47-28-26-41-18-8-10-20-43(41)34-47/h1-37H
InChIKeyLCUZXOOKIPYMBY-UHFFFAOYSA-N
XLogP16.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 160548557
7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole
CID 162501443
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
CID 166495841
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylbenzo[c]carbazole
CID 146491296
3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 146491418
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146335703
9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
CID 162089206
9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole
CID 166495749
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 166495798
2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146491393
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole (CID 146337911) is 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c23)cc1.
What is the InChIKey of 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The InChIKey is LCUZXOOKIPYMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O/c1-3-13-38(14-4-1)44-29-31-54-50(35-44)51-36-45(39-15-5-2-6-16-39)30-32-55(51)63(54)56-23-11-21-48-58-49(22-12-24-57(58)64-59(48)56)60-61-52(46-27-25-40-17-7-9-19-42(40)33-46)37-53(62-60)47-28-26-41-18-8-10-20-43(41)34-47/h1-37H.
What are the key properties of 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole has a molecular weight of 815.98 g/mol, XLogP of 16.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 146337911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).