8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole

C61H40N4 — CID 146375702

About 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole

8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 146375702) has the molecular formula C61H40N4 and a molecular weight of 829.02 g/mol. Its IUPAC name is 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
• PubChem CID: 146375702
• Molecular Formula: C61H40N4
• Molecular Weight: 829.02 g/mol
• Exact Mass: 828.33
• IUPAC Name: 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7ccc(-n8c9ccccc9c9ccc%10ccccc%10c98)cc7cc65)c4)nc4ccccc34)cc21
• InChI: InChI=1S/C61H40N4/c1-61(2)52-22-9-5-18-45(52)46-30-28-39(35-53(46)61)58-50-21-6-10-23-54(50)62-60(63-58)40-15-13-16-42(32-40)64-55-24-11-8-20-48(55)51-34-38-26-29-43(33-41(38)36-57(51)64)65-56-25-12-7-19-47(56)49-31-27-37-14-3-4-17-44(37)59(49)65/h3-36H,1-2H3
• InChIKey: WCYDUONJERQDCZ-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.02
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole?

The IUPAC name of 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole (CID 146375702) is 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole.

What is the SMILES notation for 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole?

The canonical SMILES for 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7ccc(-n8c9ccccc9c9ccc%10ccccc%10c98)cc7cc65)c4)nc4ccccc34)cc21.

What is the InChIKey of 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole?

The InChIKey is WCYDUONJERQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4/c1-61(2)52-22-9-5-18-45(52)46-30-28-39(35-53(46)61)58-50-21-6-10-23-54(50)62-60(63-58)40-15-13-16-42(32-40)64-55-24-11-8-20-48(55)51-34-38-26-29-43(33-41(38)36-57(51)64)65-56-25-12-7-19-47(56)49-31-27-37-14-3-4-17-44(37)59(49)65/h3-36H,1-2H3.

What are the key properties of 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole?

8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 829.02 g/mol, XLogP of 15.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 146375702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).