3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine

C227H176BrF34N23O2 — CID 160808338

IUPAC3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine
SMILESC=CCc1cccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1.Cc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1cccc(Br)c1.Cc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1cccc(CO)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4ccc5oc6ccc(-n7c8ccc(-c9c(C)cc(C)cc9C)cc8c8cc(-c9c(C)cc(C)cc9C)ccc87)cc6c5c4)ccc2n3-c2ccccc2)c(C)c1.Cc1ccc(C)c(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1.Cc1cccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1cncc(-c2c(-c3cccnc3)c(-c3cccnc3)c(-c3cccnc3)c(-c3cccnc3)c2-c2cccnc2)c1
InChIInChI=1S/C69H56N2O.C36H24N6.C26H21N3.C25H21N3.C24H19N3O.C24H19N3.C23H16BrN3.17F2/c1-39-27-42(4)67(43(5)28-39)50-16-22-62-56(35-50)55-33-48(15-21-61(55)70(62)53-13-11-10-12-14-53)49-19-25-65-59(34-49)60-38-54(20-26-66(60)72-65)71-63-23-17-51(68-44(6)29-40(2)30-45(68)7)36-57(63)58-37-52(18-24-64(58)71)69-46(8)31-41(3)32-47(69)9;1-7-25(19-37-13-1)31-32(26-8-2-14-38-20-26)34(28-10-4-16-40-22-28)36(30-12-6-18-42-24-30)35(29-11-5-17-41-23-29)33(31)27-9-3-15-39-21-27;1-3-5-19-6-4-7-20(15-19)22-9-8-21(14-18(22)2)29-25-10-12-27-16-23(25)24-17-28-13-11-26(24)29;1-16-4-5-17(2)21(12-16)20-7-6-19(13-18(20)3)28-24-8-10-26-14-22(24)23-15-27-11-9-25(23)28;1-16-11-19(5-6-20(16)18-4-2-3-17(12-18)15-28)27-23-7-9-25-13-21(23)22-14-26-10-8-24(22)27;1-16-4-3-5-18(12-16)20-7-6-19(13-17(20)2)27-23-8-10-25-14-21(23)22-15-26-11-9-24(22)27;1-15-11-18(5-6-19(15)16-3-2-4-17(24)12-16)27-22-7-9-25-13-20(22)21-14-26-10-8-23(21)27;17*1-2/h10-38H,1-9H3;1-24H;3-4,6-17H,1,5H2,2H3;4-15H,1-3H3;2-14,28H,15H2,1H3;3-15H,1-2H3;2-14H,1H3;;;;;;;;;;;;;;;;;
InChIKeySDZJQKCPOHCGEA-UHFFFAOYSA-N
MW3983.90 g/mol
LogP71.22
Rot. Bonds25

About 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine

3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine (PubChem CID 160808338) has the molecular formula C227H176BrF34N23O2 and a molecular weight of 3983.90 g/mol. Its IUPAC name is 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine.

Molecular Properties

Compound Name3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine
PubChem CID160808338
Molecular FormulaC227H176BrF34N23O2
Molecular Weight3983.90 g/mol
Exact Mass3980.30
IUPAC Name3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine
SMILESC=CCc1cccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1.Cc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1cccc(Br)c1.Cc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1cccc(CO)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4ccc5oc6ccc(-n7c8ccc(-c9c(C)cc(C)cc9C)cc8c8cc(-c9c(C)cc(C)cc9C)ccc87)cc6c5c4)ccc2n3-c2ccccc2)c(C)c1.Cc1ccc(C)c(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1.Cc1cccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1cncc(-c2c(-c3cccnc3)c(-c3cccnc3)c(-c3cccnc3)c(-c3cccnc3)c2-c2cccnc2)c1
InChIInChI=1S/C69H56N2O.C36H24N6.C26H21N3.C25H21N3.C24H19N3O.C24H19N3.C23H16BrN3.17F2/c1-39-27-42(4)67(43(5)28-39)50-16-22-62-56(35-50)55-33-48(15-21-61(55)70(62)53-13-11-10-12-14-53)49-19-25-65-59(34-49)60-38-54(20-26-66(60)72-65)71-63-23-17-51(68-44(6)29-40(2)30-45(68)7)36-57(63)58-37-52(18-24-64(58)71)69-46(8)31-41(3)32-47(69)9;1-7-25(19-37-13-1)31-32(26-8-2-14-38-20-26)34(28-10-4-16-40-22-28)36(30-12-6-18-42-24-30)35(29-11-5-17-41-23-29)33(31)27-9-3-15-39-21-27;1-3-5-19-6-4-7-20(15-19)22-9-8-21(14-18(22)2)29-25-10-12-27-16-23(25)24-17-28-13-11-26(24)29;1-16-4-5-17(2)21(12-16)20-7-6-19(13-18(20)3)28-24-8-10-26-14-22(24)23-15-27-11-9-25(23)28;1-16-11-19(5-6-20(16)18-4-2-3-17(12-18)15-28)27-23-7-9-25-13-21(23)22-14-26-10-8-24(22)27;1-16-4-3-5-18(12-16)20-7-6-19(13-17(20)2)27-23-8-10-25-14-21(23)22-15-26-11-9-24(22)27;1-15-11-18(5-6-19(15)16-3-2-4-17(24)12-16)27-22-7-9-25-13-20(22)21-14-26-10-8-23(21)27;17*1-2/h10-38H,1-9H3;1-24H;3-4,6-17H,1,5H2,2H3;4-15H,1-3H3;2-14,28H,15H2,1H3;3-15H,1-2H3;2-14H,1H3;;;;;;;;;;;;;;;;;
InChIKeySDZJQKCPOHCGEA-UHFFFAOYSA-N
XLogP71.22
TPSA274.12 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms287
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003983.90
LogP ≤ 571.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine?
The IUPAC name of 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine (CID 160808338) is 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine.
What is the SMILES notation for 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine?
The canonical SMILES for 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine is C=CCc1cccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1.Cc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1cccc(Br)c1.Cc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1cccc(CO)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4ccc5oc6ccc(-n7c8ccc(-c9c(C)cc(C)cc9C)cc8c8cc(-c9c(C)cc(C)cc9C)ccc87)cc6c5c4)ccc2n3-c2ccccc2)c(C)c1.Cc1ccc(C)c(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1.Cc1cccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)c1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1cncc(-c2c(-c3cccnc3)c(-c3cccnc3)c(-c3cccnc3)c(-c3cccnc3)c2-c2cccnc2)c1.
What is the InChIKey of 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine?
The InChIKey is SDZJQKCPOHCGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N2O.C36H24N6.C26H21N3.C25H21N3.C24H19N3O.C24H19N3.C23H16BrN3.17F2/c1-39-27-42(4)67(43(5)28-39)50-16-22-62-56(35-50)55-33-48(15-21-61(55)70(62)53-13-11-10-12-14-53)49-19-25-65-59(34-49)60-38-54(20-26-66(60)72-65)71-63-23-17-51(68-44(6)29-40(2)30-45(68)7)36-57(63)58-37-52(18-24-64(58)71)69-46(8)31-41(3)32-47(69)9;1-7-25(19-37-13-1)31-32(26-8-2-14-38-20-26)34(28-10-4-16-40-22-28)36(30-12-6-18-42-24-30)35(29-11-5-17-41-23-29)33(31)27-9-3-15-39-21-27;1-3-5-19-6-4-7-20(15-19)22-9-8-21(14-18(22)2)29-25-10-12-27-16-23(25)24-17-28-13-11-26(24)29;1-16-4-5-17(2)21(12-16)20-7-6-19(13-18(20)3)28-24-8-10-26-14-22(24)23-15-27-11-9-25(23)28;1-16-11-19(5-6-20(16)18-4-2-3-17(12-18)15-28)27-23-7-9-25-13-21(23)22-14-26-10-8-24(22)27;1-16-4-3-5-18(12-16)20-7-6-19(13-17(20)2)27-23-8-10-25-14-21(23)22-15-26-11-9-24(22)27;1-15-11-18(5-6-19(15)16-3-2-4-17(24)12-16)27-22-7-9-25-13-20(22)21-14-26-10-8-23(21)27;17*1-2/h10-38H,1-9H3;1-24H;3-4,6-17H,1,5H2,2H3;4-15H,1-3H3;2-14,28H,15H2,1H3;3-15H,1-2H3;2-14H,1H3;;;;;;;;;;;;;;;;;.
What are the key properties of 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine?
3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine has a molecular weight of 3983.90 g/mol, XLogP of 71.22, 25 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole;8-[4-(3-bromophenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-(2,5-dimethylphenyl)-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-methylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-methyl-4-(3-prop-2-enylphenyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;[3-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methanol;molecular fluorine;3-(2,3,4,5,6-pentapyridin-3-ylphenyl)pyridine is sourced from PubChem (CID 160808338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).