2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole

C51H33N3S — CID 131979694

About 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole

2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 131979694) has the molecular formula C51H33N3S and a molecular weight of 719.91 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole
• PubChem CID: 131979694
• Molecular Formula: C51H33N3S
• Molecular Weight: 719.91 g/mol
• Exact Mass: 719.24
• IUPAC Name: 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c6cc(-c7cccc8c7sc7ccccc78)ccc6ccc54)nc4ccccc34)cc21
• InChI: InChI=1S/C51H33N3S/c1-51(2)41-18-7-3-12-34(41)35-26-24-32(29-42(35)51)48-38-14-4-8-19-43(38)52-50(53-48)54-44-20-9-5-15-39(44)47-40-28-31(23-22-30(40)25-27-45(47)54)33-16-11-17-37-36-13-6-10-21-46(36)55-49(33)37/h3-29H,1-2H3
• InChIKey: CMXXJMARTWZINX-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.91
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole?

The IUPAC name of 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole (CID 131979694) is 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole.

What is the SMILES notation for 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole?

The canonical SMILES for 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c6cc(-c7cccc8c7sc7ccccc78)ccc6ccc54)nc4ccccc34)cc21.

What is the InChIKey of 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole?

The InChIKey is CMXXJMARTWZINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3S/c1-51(2)41-18-7-3-12-34(41)35-26-24-32(29-42(35)51)48-38-14-4-8-19-43(38)52-50(53-48)54-44-20-9-5-15-39(44)47-40-28-31(23-22-30(40)25-27-45(47)54)33-16-11-17-37-36-13-6-10-21-46(36)55-49(33)37/h3-29H,1-2H3.

What are the key properties of 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole?

2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 719.91 g/mol, XLogP of 13.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 131979694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).