7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine

C70H48N2S — CID 121424797

About 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine

7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 121424797) has the molecular formula C70H48N2S and a molecular weight of 949.24 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 121424797
• Molecular Formula: C70H48N2S
• Molecular Weight: 949.24 g/mol
• Exact Mass: 948.35
• IUPAC Name: 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C70H48N2S/c1-69(2)63-43-51(34-37-54(63)55-38-35-52(44-64(55)69)72-65-26-14-10-22-56(65)57-23-11-15-27-66(57)72)71(49-32-29-45(30-33-49)46-31-40-68-60(41-46)58-24-12-16-28-67(58)73-68)50-36-39-62-59(42-50)53-21-9-13-25-61(53)70(62,47-17-5-3-6-18-47)48-19-7-4-8-20-48/h3-44H,1-2H3
• InChIKey: XAUQRFPNYFAAOV-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.24
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine (CID 121424797) is 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

The InChIKey is XAUQRFPNYFAAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2S/c1-69(2)63-43-51(34-37-54(63)55-38-35-52(44-64(55)69)72-65-26-14-10-22-56(65)57-23-11-15-27-66(57)72)71(49-32-29-45(30-33-49)46-31-40-68-60(41-46)58-24-12-16-28-67(58)73-68)50-36-39-62-59(42-50)53-21-9-13-25-61(53)70(62,47-17-5-3-6-18-47)48-19-7-4-8-20-48/h3-44H,1-2H3.

What are the key properties of 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 949.24 g/mol, XLogP of 18.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 121424797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).