4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine

C193H127Ge4N13OS — CID 157199440

About 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine

4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine (PubChem CID 157199440) has the molecular formula C193H127Ge4N13OS and a molecular weight of 2966.74 g/mol. Its IUPAC name is 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine
• PubChem CID: 157199440
• Molecular Formula: C193H127Ge4N13OS
• Molecular Weight: 2966.74 g/mol
• Exact Mass: 2969.69
• IUPAC Name: 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc5c4-c4ccccc4[Ge]5(c4ccccc4)c4ccccc4)c3c21.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C52H34GeN4.C49H35GeN3.C46H29GeN3O.C46H29GeN3S/c1-5-19-35(20-6-1)51-54-50-47(43-29-13-16-30-44(43)53(50,36-21-7-2-8-22-36)37-23-9-3-10-24-37)52(55-51)57-46-32-18-15-28-40(46)42-34-33-41-39-27-14-17-31-45(39)56(48(41)49(42)57)38-25-11-4-12-26-38;1-49(2)40-27-15-12-24-35(40)37-30-31-38-36-25-14-17-29-42(36)53(45(38)44(37)49)48-43-39-26-13-16-28-41(39)50(33-20-8-4-9-21-33,34-22-10-5-11-23-34)46(43)51-47(52-48)32-18-6-3-7-19-32;2*1-4-16-30(17-5-1)45-48-44-41(37-24-10-13-25-38(37)47(44,31-18-6-2-7-19-31)32-20-8-3-9-21-32)46(49-45)50-39-26-14-11-22-33(39)35-28-29-36-34-23-12-15-27-40(34)51-43(36)42(35)50/h1-34H;3-31H,1-2H3;2*1-29H
• InChIKey: AQPYMOIGUFTNFS-UHFFFAOYSA-N
• XLogP: 36.06
• TPSA: 140.91 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2966.74
LogP ≤ 5	36.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine?

The IUPAC name of 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine (CID 157199440) is 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine.

What is the SMILES notation for 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine?

The canonical SMILES for 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc5c4-c4ccccc4[Ge]5(c4ccccc4)c4ccccc4)c3c21.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.

What is the InChIKey of 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine?

The InChIKey is AQPYMOIGUFTNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34GeN4.C49H35GeN3.C46H29GeN3O.C46H29GeN3S/c1-5-19-35(20-6-1)51-54-50-47(43-29-13-16-30-44(43)53(50,36-21-7-2-8-22-36)37-23-9-3-10-24-37)52(55-51)57-46-32-18-15-28-40(46)42-34-33-41-39-27-14-17-31-45(39)56(48(41)49(42)57)38-25-11-4-12-26-38;1-49(2)40-27-15-12-24-35(40)37-30-31-38-36-25-14-17-29-42(36)53(45(38)44(37)49)48-43-39-26-13-16-28-41(39)50(33-20-8-4-9-21-33,34-22-10-5-11-23-34)46(43)51-47(52-48)32-18-6-3-7-19-32;2*1-4-16-30(17-5-1)45-48-44-41(37-24-10-13-25-38(37)47(44,31-18-6-2-7-19-31)32-20-8-3-9-21-32)46(49-45)50-39-26-14-11-22-33(39)35-28-29-36-34-23-12-15-27-40(34)51-43(36)42(35)50/h1-34H;3-31H,1-2H3;2*1-29H.

What are the key properties of 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine?

4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine has a molecular weight of 2966.74 g/mol, XLogP of 36.06, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-a]carbazole;2,9,9-triphenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[2,3-d]pyrimidine is sourced from PubChem (CID 157199440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).