9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole

C131H80N8O4 — CID 162097634

IUPAC9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3cccc4oc5cc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)ccc5c34)nc3ccccc23)cc1.c1ccc(-c2cc(-c3cccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3c2)cc1
InChIInChI=1S/C46H29N3O.C45H26N2O2.C40H25N3O/c1-4-13-30(14-5-1)33-23-25-36-35-19-10-11-21-41(35)49(42(36)27-33)34-24-26-38-44(28-34)50-43-22-12-20-37(45(38)43)40-29-39(31-15-6-2-7-16-31)47-46(48-40)32-17-8-3-9-18-32;1-2-11-27(12-3-1)36-26-38(46-37-17-7-4-13-29(36)37)34-16-10-20-41-43(34)35-22-21-28(25-42(35)48-41)47-39-18-8-5-14-30(39)32-23-24-33-31-15-6-9-19-40(31)49-45(33)44(32)47;1-3-12-26(13-4-1)33-25-34(42-40(41-33)27-14-5-2-6-15-27)31-18-11-21-37-39(31)32-23-22-28(24-38(32)44-37)43-35-19-9-7-16-29(35)30-17-8-10-20-36(30)43/h1-29H;1-26H;1-25H
InChIKeyZELQADNLXDHPRI-UHFFFAOYSA-N
MW1830.13 g/mol
LogP35.08
Rot. Bonds12

About 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole

9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 162097634) has the molecular formula C131H80N8O4 and a molecular weight of 1830.13 g/mol. Its IUPAC name is 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID162097634
Molecular FormulaC131H80N8O4
Molecular Weight1830.13 g/mol
Exact Mass1828.63
IUPAC Name9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3cccc4oc5cc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)ccc5c34)nc3ccccc23)cc1.c1ccc(-c2cc(-c3cccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3c2)cc1
InChIInChI=1S/C46H29N3O.C45H26N2O2.C40H25N3O/c1-4-13-30(14-5-1)33-23-25-36-35-19-10-11-21-41(35)49(42(36)27-33)34-24-26-38-44(28-34)50-43-22-12-20-37(45(38)43)40-29-39(31-15-6-2-7-16-31)47-46(48-40)32-17-8-3-9-18-32;1-2-11-27(12-3-1)36-26-38(46-37-17-7-4-13-29(36)37)34-16-10-20-41-43(34)35-22-21-28(25-42(35)48-41)47-39-18-8-5-14-30(39)32-23-24-33-31-15-6-9-19-40(31)49-45(33)44(32)47;1-3-12-26(13-4-1)33-25-34(42-40(41-33)27-14-5-2-6-15-27)31-18-11-21-37-39(31)32-23-22-28(24-38(32)44-37)43-35-19-9-7-16-29(35)30-17-8-10-20-36(30)43/h1-29H;1-26H;1-25H
InChIKeyZELQADNLXDHPRI-UHFFFAOYSA-N
XLogP35.08
TPSA131.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001830.13
LogP ≤ 535.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334011
12-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 129254550
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
2-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;4-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 158601298
3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334035
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 170277606
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 170253940
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146519902
15-phenyl-11-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-phenyl-15-[3-(4-phenylquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-phenyl-15-[4-(4-phenylquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 159376576
9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 168769949

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole (CID 162097634) is 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cc(-c3cccc4oc5cc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)ccc5c34)nc3ccccc23)cc1.c1ccc(-c2cc(-c3cccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3c2)cc1.
What is the InChIKey of 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is ZELQADNLXDHPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O.C45H26N2O2.C40H25N3O/c1-4-13-30(14-5-1)33-23-25-36-35-19-10-11-21-41(35)49(42(36)27-33)34-24-26-38-44(28-34)50-43-22-12-20-37(45(38)43)40-29-39(31-15-6-2-7-16-31)47-46(48-40)32-17-8-3-9-18-32;1-2-11-27(12-3-1)36-26-38(46-37-17-7-4-13-29(36)37)34-16-10-20-41-43(34)35-22-21-28(25-42(35)48-41)47-39-18-8-5-14-30(39)32-23-24-33-31-15-6-9-19-40(31)49-45(33)44(32)47;1-3-12-26(13-4-1)33-25-34(42-40(41-33)27-14-5-2-6-15-27)31-18-11-21-37-39(31)32-23-22-28(24-38(32)44-37)43-35-19-9-7-16-29(35)30-17-8-10-20-36(30)43/h1-29H;1-26H;1-25H.
What are the key properties of 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1830.13 g/mol, XLogP of 35.08, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 162097634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).