5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole

C80H50N6O — CID 129292169

IUPAC5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6oc7ccc(-c8ccc9c(c8)c8c(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)cccc8n9-c8ccccc8)cc7c6c5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C80H50N6O/c1-7-21-51(22-8-1)67-49-68(52-23-9-2-10-24-52)82-79(81-67)61-33-19-35-73-77(61)65-47-55(37-41-71(65)85(73)59-29-15-5-16-30-59)57-39-43-75-63(45-57)64-46-58(40-44-76(64)87-75)56-38-42-72-66(48-56)78-62(34-20-36-74(78)86(72)60-31-17-6-18-32-60)80-83-69(53-25-11-3-12-26-53)50-70(84-80)54-27-13-4-14-28-54/h1-50H
InChIKeyDYRBAJCUUBAFDM-UHFFFAOYSA-N
MW1111.32 g/mol
LogP20.70
Rot. Bonds10

About 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole

5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 129292169) has the molecular formula C80H50N6O and a molecular weight of 1111.32 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID129292169
Molecular FormulaC80H50N6O
Molecular Weight1111.32 g/mol
Exact Mass1110.40
IUPAC Name5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6oc7ccc(-c8ccc9c(c8)c8c(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)cccc8n9-c8ccccc8)cc7c6c5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C80H50N6O/c1-7-21-51(22-8-1)67-49-68(52-23-9-2-10-24-52)82-79(81-67)61-33-19-35-73-77(61)65-47-55(37-41-71(65)85(73)59-29-15-5-16-30-59)57-39-43-75-63(45-57)64-46-58(40-44-76(64)87-75)56-38-42-72-66(48-56)78-62(34-20-36-74(78)86(72)60-31-17-6-18-32-60)80-83-69(53-25-11-3-12-26-53)50-70(84-80)54-27-13-4-14-28-54/h1-50H
InChIKeyDYRBAJCUUBAFDM-UHFFFAOYSA-N
XLogP20.70
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.32
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451963
5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole
CID 129292170
4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 146572638
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319
4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 159816656
3-[16-(2,6-diphenylpyrimidin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole
CID 67952805
4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 170534380
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
CID 170240277
4-[9-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768741
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 134590951

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 129292169) is 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6oc7ccc(-c8ccc9c(c8)c8c(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)cccc8n9-c8ccccc8)cc7c6c5)ccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is DYRBAJCUUBAFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N6O/c1-7-21-51(22-8-1)67-49-68(52-23-9-2-10-24-52)82-79(81-67)61-33-19-35-73-77(61)65-47-55(37-41-71(65)85(73)59-29-15-5-16-30-59)57-39-43-75-63(45-57)64-46-58(40-44-76(64)87-75)56-38-42-72-66(48-56)78-62(34-20-36-74(78)86(72)60-31-17-6-18-32-60)80-83-69(53-25-11-3-12-26-53)50-70(84-80)54-27-13-4-14-28-54/h1-50H.
What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole?
5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 1111.32 g/mol, XLogP of 20.70, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenylpyrimidin-2-yl)-3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 129292169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).