6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C205H135N17O2S — CID 158867398

About 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 158867398) has the molecular formula C205H135N17O2S and a molecular weight of 2900.52 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 158867398
• Molecular Formula: C205H135N17O2S
• Molecular Weight: 2900.52 g/mol
• Exact Mass: 2898.07
• IUPAC Name: 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1.CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1nc(-c2ccccc2)c2oc3ccccc3c2n1.CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1nc(-c2ccccc2)c2sc3ccccc3c2n1
• InChI: InChI=1S/C54H37N5.C53H34N4O.C49H32N4O.C49H32N4S/c1-54(2)43-22-12-9-21-41(43)49-44(54)31-32-47-50(49)42-30-29-38(59-45-23-13-10-19-39(45)40-20-11-14-24-46(40)59)33-48(42)58(47)37-27-25-36(26-28-37)53-56-51(34-15-5-3-6-16-34)55-52(57-53)35-17-7-4-8-18-35;1-53(2)40-21-8-3-17-36(40)48-41(53)28-29-45-49(48)38-27-26-31(56-43-23-10-5-14-32(43)33-15-6-11-24-44(33)56)30-46(38)57(45)52-54-42-22-9-4-18-37(42)50(55-52)39-20-13-19-35-34-16-7-12-25-47(34)58-51(35)39;2*1-49(2)36-20-10-6-18-33(36)43-37(49)26-27-40-44(43)34-25-24-30(52-38-21-11-7-16-31(38)32-17-8-12-22-39(32)52)28-41(34)53(40)48-50-45(29-14-4-3-5-15-29)47-46(51-48)35-19-9-13-23-42(35)54-47/h3-33H,1-2H3;3-30H,1-2H3;2*3-28H,1-2H3
• InChIKey: JBKKIJNJLAFJAA-UHFFFAOYSA-N
• XLogP: 52.63
• TPSA: 181.73 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2900.52
LogP ≤ 5	52.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 158867398) is 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1.CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1nc(-c2ccccc2)c2oc3ccccc3c2n1.CC1(C)c2ccccc2-c2c1ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1nc(-c2ccccc2)c2sc3ccccc3c2n1.

What is the InChIKey of 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The InChIKey is JBKKIJNJLAFJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N5.C53H34N4O.C49H32N4O.C49H32N4S/c1-54(2)43-22-12-9-21-41(43)49-44(54)31-32-47-50(49)42-30-29-38(59-45-23-13-10-19-39(45)40-20-11-14-24-46(40)59)33-48(42)58(47)37-27-25-36(26-28-37)53-56-51(34-15-5-3-6-16-34)55-52(57-53)35-17-7-4-8-18-35;1-53(2)40-21-8-3-17-36(40)48-41(53)28-29-45-49(48)38-27-26-31(56-43-23-10-5-14-32(43)33-15-6-11-24-44(33)56)30-46(38)57(45)52-54-42-22-9-4-18-37(42)50(55-52)39-20-13-19-35-34-16-7-12-25-47(34)58-51(35)39;2*1-49(2)36-20-10-6-18-33(36)43-37(49)26-27-40-44(43)34-25-24-30(52-38-21-11-7-16-31(38)32-17-8-12-22-39(32)52)28-41(34)53(40)48-50-45(29-14-4-3-5-15-29)47-46(51-48)35-19-9-13-23-42(35)54-47/h3-33H,1-2H3;3-30H,1-2H3;2*3-28H,1-2H3.

What are the key properties of 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 2900.52 g/mol, XLogP of 52.63, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-carbazol-9-yl-9-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(6-carbazol-9-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 158867398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).