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

C191H152BrN17O2 — CID 159808786

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

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 (PubChem CID 159808786) has the molecular formula C191H152BrN17O2 and a molecular weight of 2797.34 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 Properties

• Compound Name: 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
• PubChem CID: 159808786
• Molecular Formula: C191H152BrN17O2
• Molecular Weight: 2797.34 g/mol
• Exact Mass: 2794.15
• IUPAC Name: 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
• SMILES: 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
• InChI: InChI=1S/C69H56N2O.C26H21N3.C25H21N3.C24H19N3O.C24H19N3.C23H16BrN3/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;1-3-5-19-6-4-7-20(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/h10-38H,1-9H3;3-4,6-17H,1,5H2,2H3;4-15H,1-3H3;2-14,28H,15H2,1H3;3-15H,1-2H3;2-14H,1H3
• InChIKey: NKTDBPJDAPKKLZ-UHFFFAOYSA-N
• XLogP: 48.88
• TPSA: 196.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2797.34
LogP ≤ 5	48.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

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?

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 (CID 159808786) 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.

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?

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 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.

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?

The InChIKey is NKTDBPJDAPKKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N2O.C26H21N3.C25H21N3.C24H19N3O.C24H19N3.C23H16BrN3/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;1-3-5-19-6-4-7-20(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/h10-38H,1-9H3;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?

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 has a molecular weight of 2797.34 g/mol, XLogP of 48.88, 19 rotatable bonds, 1 hydrogen bond donors, and 19 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 is sourced from PubChem (CID 159808786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).