5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole

C65H41N3O — CID 130327275

IUPAC5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C65H41N3O/c1-4-19-42(20-5-1)43-21-16-22-44(37-43)57-41-58(67-64(66-57)52-32-18-36-62-63(52)51-31-12-15-35-61(51)69-62)45-23-17-28-48(38-45)68-59-34-14-11-30-50(59)54-39-53-49-29-10-13-33-55(49)65(56(53)40-60(54)68,46-24-6-2-7-25-46)47-26-8-3-9-27-47/h1-41H
InChIKeyIADGBCLQQDWLTG-UHFFFAOYSA-N
MW880.06 g/mol
LogP16.50
Rot. Bonds7

About 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole

5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole (PubChem CID 130327275) has the molecular formula C65H41N3O and a molecular weight of 880.06 g/mol. Its IUPAC name is 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
PubChem CID130327275
Molecular FormulaC65H41N3O
Molecular Weight880.06 g/mol
Exact Mass879.32
IUPAC Name5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C65H41N3O/c1-4-19-42(20-5-1)43-21-16-22-44(37-43)57-41-58(67-64(66-57)52-32-18-36-62-63(52)51-31-12-15-35-61(51)69-62)45-23-17-28-48(38-45)68-59-34-14-11-30-50(59)54-39-53-49-29-10-13-33-55(49)65(56(53)40-60(54)68,46-24-6-2-7-25-46)47-26-8-3-9-27-47/h1-41H
InChIKeyIADGBCLQQDWLTG-UHFFFAOYSA-N
XLogP16.50
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.06
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014518
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 130327359
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 159431867
5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 163954156
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 169014242
2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-1-yl)-9-[4-[3-[4-[4-[2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 155415738
2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445377

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole?
The IUPAC name of 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole (CID 130327275) is 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole is c1ccc(-c2cccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole?
The InChIKey is IADGBCLQQDWLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3O/c1-4-19-42(20-5-1)43-21-16-22-44(37-43)57-41-58(67-64(66-57)52-32-18-36-62-63(52)51-31-12-15-35-61(51)69-62)45-23-17-28-48(38-45)68-59-34-14-11-30-50(59)54-39-53-49-29-10-13-33-55(49)65(56(53)40-60(54)68,46-24-6-2-7-25-46)47-26-8-3-9-27-47/h1-41H.
What are the key properties of 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole?
5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole has a molecular weight of 880.06 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-dibenzofuran-1-yl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole is sourced from PubChem (CID 130327275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).