4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C257H164N10O9S — CID 160719234

IUPAC4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6ncnc7c6oc6ccccc67)c5)cccc34)cc21.c1cc(-c2cccc(-c3ncnc4c3oc3ccccc34)c2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C64H44N2O2.2C58H36N2O2.C43H28N2OS.C34H20N2O2/c1-63(2)53-20-8-5-17-45(53)47-26-23-40(34-55(47)63)39-25-28-58-51(31-39)52-33-44(41-24-27-48-46-18-6-9-21-54(46)64(3,4)56(48)35-41)32-50(61(52)67-58)42-15-11-13-37(29-42)38-14-12-16-43(30-38)59-62-60(66-36-65-59)49-19-7-10-22-57(49)68-62;1-3-13-37(14-4-1)39-17-9-19-41(29-39)45-27-28-54-51(33-45)52-35-48(44-22-10-18-40(30-44)38-15-5-2-6-16-38)34-50(57(52)61-54)46-23-11-20-42(31-46)43-21-12-24-47(32-43)55-58-56(60-36-59-55)49-25-7-8-26-53(49)62-58;1-3-11-37(12-4-1)39-21-25-41(26-22-39)45-29-30-54-51(33-45)52-35-48(42-27-23-40(24-28-42)38-13-5-2-6-14-38)34-50(57(52)61-54)46-17-9-15-43(31-46)44-16-10-18-47(32-44)55-58-56(60-36-59-55)49-19-7-8-20-53(49)62-58;1-43(2)35-18-5-3-12-30(35)31-21-20-26(23-36(31)43)29-15-9-17-33-32-16-8-14-28(41(32)47-42(29)33)25-10-7-11-27(22-25)38-40-39(45-24-44-38)34-13-4-6-19-37(34)46-40;1-3-16-29-26(12-1)27-15-7-14-25(33(27)37-29)23-10-5-8-21(18-23)22-9-6-11-24(19-22)31-34-32(36-20-35-31)28-13-2-4-17-30(28)38-34/h5-36H,1-4H3;2*1-36H;3-24H,1-2H3;1-20H
InChIKeyRSWNCITYBNMHMR-UHFFFAOYSA-N
MW3568.27 g/mol
LogP70.44
Rot. Bonds25

About 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 160719234) has the molecular formula C257H164N10O9S and a molecular weight of 3568.27 g/mol. Its IUPAC name is 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID160719234
Molecular FormulaC257H164N10O9S
Molecular Weight3568.27 g/mol
Exact Mass3565.24
IUPAC Name4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6ncnc7c6oc6ccccc67)c5)cccc34)cc21.c1cc(-c2cccc(-c3ncnc4c3oc3ccccc34)c2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C64H44N2O2.2C58H36N2O2.C43H28N2OS.C34H20N2O2/c1-63(2)53-20-8-5-17-45(53)47-26-23-40(34-55(47)63)39-25-28-58-51(31-39)52-33-44(41-24-27-48-46-18-6-9-21-54(46)64(3,4)56(48)35-41)32-50(61(52)67-58)42-15-11-13-37(29-42)38-14-12-16-43(30-38)59-62-60(66-36-65-59)49-19-7-10-22-57(49)68-62;1-3-13-37(14-4-1)39-17-9-19-41(29-39)45-27-28-54-51(33-45)52-35-48(44-22-10-18-40(30-44)38-15-5-2-6-16-38)34-50(57(52)61-54)46-23-11-20-42(31-46)43-21-12-24-47(32-43)55-58-56(60-36-59-55)49-25-7-8-26-53(49)62-58;1-3-11-37(12-4-1)39-21-25-41(26-22-39)45-29-30-54-51(33-45)52-35-48(42-27-23-40(24-28-42)38-13-5-2-6-14-38)34-50(57(52)61-54)46-17-9-15-43(31-46)44-16-10-18-47(32-44)55-58-56(60-36-59-55)49-19-7-8-20-53(49)62-58;1-43(2)35-18-5-3-12-30(35)31-21-20-26(23-36(31)43)29-15-9-17-33-32-16-8-14-28(41(32)47-42(29)33)25-10-7-11-27(22-25)38-40-39(45-24-44-38)34-13-4-6-19-37(34)46-40;1-3-16-29-26(12-1)27-15-7-14-25(33(27)37-29)23-10-5-8-21(18-23)22-9-6-11-24(19-22)31-34-32(36-20-35-31)28-13-2-4-17-30(28)38-34/h5-36H,1-4H3;2*1-36H;3-24H,1-2H3;1-20H
InChIKeyRSWNCITYBNMHMR-UHFFFAOYSA-N
XLogP70.44
TPSA247.16 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms277
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003568.27
LogP ≤ 570.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 160719234) is 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6ncnc7c6oc6ccccc67)c5)cccc34)cc21.c1cc(-c2cccc(-c3ncnc4c3oc3ccccc34)c2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.
What is the InChIKey of 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is RSWNCITYBNMHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O2.2C58H36N2O2.C43H28N2OS.C34H20N2O2/c1-63(2)53-20-8-5-17-45(53)47-26-23-40(34-55(47)63)39-25-28-58-51(31-39)52-33-44(41-24-27-48-46-18-6-9-21-54(46)64(3,4)56(48)35-41)32-50(61(52)67-58)42-15-11-13-37(29-42)38-14-12-16-43(30-38)59-62-60(66-36-65-59)49-19-7-10-22-57(49)68-62;1-3-13-37(14-4-1)39-17-9-19-41(29-39)45-27-28-54-51(33-45)52-35-48(44-22-10-18-40(30-44)38-15-5-2-6-16-38)34-50(57(52)61-54)46-23-11-20-42(31-46)43-21-12-24-47(32-43)55-58-56(60-36-59-55)49-25-7-8-26-53(49)62-58;1-3-11-37(12-4-1)39-21-25-41(26-22-39)45-29-30-54-51(33-45)52-35-48(42-27-23-40(24-28-42)38-13-5-2-6-14-38)34-50(57(52)61-54)46-17-9-15-43(31-46)44-16-10-18-47(32-44)55-58-56(60-36-59-55)49-19-7-8-20-53(49)62-58;1-43(2)35-18-5-3-12-30(35)31-21-20-26(23-36(31)43)29-15-9-17-33-32-16-8-14-28(41(32)47-42(29)33)25-10-7-11-27(22-25)38-40-39(45-24-44-38)34-13-4-6-19-37(34)46-40;1-3-16-29-26(12-1)27-15-7-14-25(33(27)37-29)23-10-5-8-21(18-23)22-9-6-11-24(19-22)31-34-32(36-20-35-31)28-13-2-4-17-30(28)38-34/h5-36H,1-4H3;2*1-36H;3-24H,1-2H3;1-20H.
What are the key properties of 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 3568.27 g/mol, XLogP of 70.44, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 160719234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).