9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole

C89H63N5 — CID 126632255

About 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole

9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole (PubChem CID 126632255) has the molecular formula C89H63N5 and a molecular weight of 1202.52 g/mol. Its IUPAC name is 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole
• PubChem CID: 126632255
• Molecular Formula: C89H63N5
• Molecular Weight: 1202.52 g/mol
• Exact Mass: 1201.51
• IUPAC Name: 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccccc5n(-c5ccc6nc(-n7c8ccccc8c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc87)nc(-n7c8ccccc8c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc87)c6c5)c4c3)cc21
• InChI: InChI=1S/C89H63N5/c1-87(2)72-25-13-7-19-59(72)62-38-31-52(45-75(62)87)55-34-41-68-65-22-10-16-28-79(65)92(82(68)48-55)58-37-44-78-71(51-58)85(93-80-29-17-11-23-66(80)69-42-35-56(49-83(69)93)53-32-39-63-60-20-8-14-26-73(60)88(3,4)76(63)46-53)91-86(90-78)94-81-30-18-12-24-67(81)70-43-36-57(50-84(70)94)54-33-40-64-61-21-9-15-27-74(61)89(5,6)77(64)47-54/h7-51H,1-6H3
• InChIKey: ACUKVWJEVLKZCU-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1202.52
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole?

The IUPAC name of 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole (CID 126632255) is 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole.

What is the SMILES notation for 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole?

The canonical SMILES for 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccccc5n(-c5ccc6nc(-n7c8ccccc8c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc87)nc(-n7c8ccccc8c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc87)c6c5)c4c3)cc21.

What is the InChIKey of 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole?

The InChIKey is ACUKVWJEVLKZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H63N5/c1-87(2)72-25-13-7-19-59(72)62-38-31-52(45-75(62)87)55-34-41-68-65-22-10-16-28-79(65)92(82(68)48-55)58-37-44-78-71(51-58)85(93-80-29-17-11-23-66(80)69-42-35-56(49-83(69)93)53-32-39-63-60-20-8-14-26-73(60)88(3,4)76(63)46-53)91-86(90-78)94-81-30-18-12-24-67(81)70-43-36-57(50-84(70)94)54-33-40-64-61-21-9-15-27-74(61)89(5,6)77(64)47-54/h7-51H,1-6H3.

What are the key properties of 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole?

9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole has a molecular weight of 1202.52 g/mol, XLogP of 22.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole is sourced from PubChem (CID 126632255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).