12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole

C157H111N13OS — CID 161276545

About 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole

12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 161276545) has the molecular formula C157H111N13OS and a molecular weight of 2227.77 g/mol. Its IUPAC name is 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
• PubChem CID: 161276545
• Molecular Formula: C157H111N13OS
• Molecular Weight: 2227.77 g/mol
• Exact Mass: 2225.88
• IUPAC Name: 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3ccccc3)nc21.CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc(-c3ccccc3)nc21.CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)nc(-c3ccccc3)nc21.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc4c3-c3ccccc3C4(C)C)c21
• InChI: InChI=1S/C43H30N4.C40H31N3.C37H25N3O.C37H25N3S/c1-43(2)33-22-12-9-20-31(33)38-40(43)44-41(27-15-5-3-6-16-27)45-42(38)47-34-23-13-10-19-29(34)30-25-26-36-37(39(30)47)32-21-11-14-24-35(32)46(36)28-17-7-4-8-18-28;1-39(2)29-19-11-8-17-27(29)33-31(39)23-22-26-25-16-10-13-21-32(25)43(35(26)33)38-34-28-18-9-12-20-30(28)40(3,4)36(34)41-37(42-38)24-14-6-5-7-15-24;2*1-37(2)27-17-9-6-15-25(27)32-34(37)38-35(22-12-4-3-5-13-22)39-36(32)40-28-18-10-7-14-23(28)24-20-21-30-31(33(24)40)26-16-8-11-19-29(26)41-30/h3-26H,1-2H3;5-23H,1-4H3;2*3-21H,1-2H3
• InChIKey: VEMXWPLJZROKTJ-UHFFFAOYSA-N
• XLogP: 39.86
• TPSA: 140.91 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2227.77
LogP ≤ 5	39.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?

The IUPAC name of 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole (CID 161276545) is 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3ccccc3)nc21.CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc(-c3ccccc3)nc21.CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)nc(-c3ccccc3)nc21.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc4c3-c3ccccc3C4(C)C)c21.

What is the InChIKey of 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?

The InChIKey is VEMXWPLJZROKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4.C40H31N3.C37H25N3O.C37H25N3S/c1-43(2)33-22-12-9-20-31(33)38-40(43)44-41(27-15-5-3-6-16-27)45-42(38)47-34-23-13-10-19-29(34)30-25-26-36-37(39(30)47)32-21-11-14-24-35(32)46(36)28-17-7-4-8-18-28;1-39(2)29-19-11-8-17-27(29)33-31(39)23-22-26-25-16-10-13-21-32(25)43(35(26)33)38-34-28-18-9-12-20-30(28)40(3,4)36(34)41-37(42-38)24-14-6-5-7-15-24;2*1-37(2)27-17-9-6-15-25(27)32-34(37)38-35(22-12-4-3-5-13-22)39-36(32)40-28-18-10-7-14-23(28)24-20-21-30-31(33(24)40)26-16-8-11-19-29(26)41-30/h3-26H,1-2H3;5-23H,1-4H3;2*3-21H,1-2H3.

What are the key properties of 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole?

12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole has a molecular weight of 2227.77 g/mol, XLogP of 39.86, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 161276545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).