9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole

C59H35N3O — CID 153483840

IUPAC9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)oc5cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C59H35N3O/c1-3-15-36(16-4-1)52-35-53(37-17-5-2-6-18-37)61-58(60-52)62-54-26-14-10-22-43(54)46-31-38(28-30-55(46)62)39-27-29-44-47-33-45-42-21-9-13-25-50(42)59(51(45)34-57(47)63-56(44)32-39)48-23-11-7-19-40(48)41-20-8-12-24-49(41)59/h1-35H
InChIKeyKHVCBEYPKSANBO-UHFFFAOYSA-N
MW801.95 g/mol
LogP14.82
Rot. Bonds4

About 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole

9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole (PubChem CID 153483840) has the molecular formula C59H35N3O and a molecular weight of 801.95 g/mol. Its IUPAC name is 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole.

Molecular Properties

Compound Name9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole
PubChem CID153483840
Molecular FormulaC59H35N3O
Molecular Weight801.95 g/mol
Exact Mass801.28
IUPAC Name9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)oc5cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C59H35N3O/c1-3-15-36(16-4-1)52-35-53(37-17-5-2-6-18-37)61-58(60-52)62-54-26-14-10-22-43(54)46-31-38(28-30-55(46)62)39-27-29-44-47-33-45-42-21-9-13-25-50(42)59(51(45)34-57(47)63-56(44)32-39)48-23-11-7-19-40(48)41-20-8-12-24-49(41)59/h1-35H
InChIKeyKHVCBEYPKSANBO-UHFFFAOYSA-N
XLogP14.82
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.95
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 140907299
3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276709
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
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole
CID 153483775
5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014138
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 90226957
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573455
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223402

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole?
The IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole (CID 153483840) is 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole.
What is the SMILES notation for 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole?
The canonical SMILES for 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)oc5cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)ccc43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole?
The InChIKey is KHVCBEYPKSANBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3O/c1-3-15-36(16-4-1)52-35-53(37-17-5-2-6-18-37)61-58(60-52)62-54-26-14-10-22-43(54)46-31-38(28-30-55(46)62)39-27-29-44-47-33-45-42-21-9-13-25-50(42)59(51(45)34-57(47)63-56(44)32-39)48-23-11-7-19-40(48)41-20-8-12-24-49(41)59/h1-35H.
What are the key properties of 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole?
9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole has a molecular weight of 801.95 g/mol, XLogP of 14.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole is sourced from PubChem (CID 153483840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).