12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole

C66H42N8 — CID 88950411

About 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole

12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 88950411) has the molecular formula C66H42N8 and a molecular weight of 947.12 g/mol. Its IUPAC name is 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
• PubChem CID: 88950411
• Molecular Formula: C66H42N8
• Molecular Weight: 947.12 g/mol
• Exact Mass: 946.35
• IUPAC Name: 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
• SMILES: C1=CC2c3ccc4c(c3N(c3nc(-c5ccccc5)c5nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)nc(-c6ccccc6)c5n3)C2C=C1)c1ccccc1n4-c1ccccc1
• InChI: InChI=1S/C66H42N8/c1-5-21-41(22-6-1)58-61-60(69-65(67-58)73-53-34-18-14-29-45(53)48-39-40-56-57(62(48)73)51-32-16-20-36-55(51)71(56)43-25-9-3-10-26-43)59(42-23-7-2-8-24-42)68-66(70-61)74-54-35-19-15-31-47(54)50-38-37-49-46-30-13-17-33-52(46)72(63(49)64(50)74)44-27-11-4-12-28-44/h1-40,45,53H
• InChIKey: CUGYRSHSODMQTM-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 69.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.12
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole?

The IUPAC name of 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole (CID 88950411) is 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole is C1=CC2c3ccc4c(c3N(c3nc(-c5ccccc5)c5nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)nc(-c6ccccc6)c5n3)C2C=C1)c1ccccc1n4-c1ccccc1.

What is the InChIKey of 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole?

The InChIKey is CUGYRSHSODMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N8/c1-5-21-41(22-6-1)58-61-60(69-65(67-58)73-53-34-18-14-29-45(53)48-39-40-56-57(62(48)73)51-32-16-20-36-55(51)71(56)43-25-9-3-10-26-43)59(42-23-7-2-8-24-42)68-66(70-61)74-54-35-19-15-31-47(54)50-38-37-49-46-30-13-17-33-52(46)72(63(49)64(50)74)44-27-11-4-12-28-44/h1-40,45,53H.

What are the key properties of 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole?

12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 947.12 g/mol, XLogP of 15.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 88950411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).