9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine

C63H44N2S — CID 121358602

About 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine

9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine (PubChem CID 121358602) has the molecular formula C63H44N2S and a molecular weight of 861.13 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine
• PubChem CID: 121358602
• Molecular Formula: C63H44N2S
• Molecular Weight: 861.13 g/mol
• Exact Mass: 860.32
• IUPAC Name: 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine
• SMILES: CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccc5sc6ccc(-c7ccccc7)cc6c5c4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c21
• InChI: InChI=1S/C63H44N2S/c1-63(2)55-23-11-9-19-50(55)51-22-14-26-58(62(51)63)64(47-33-27-42(28-34-47)45-32-38-60-54(40-45)53-39-44(31-37-59(53)66-60)41-15-5-3-6-16-41)48-35-29-43(30-36-48)49-21-13-25-57-61(49)52-20-10-12-24-56(52)65(57)46-17-7-4-8-18-46/h3-40H,1-2H3
• InChIKey: UDWQEDSODUWTDX-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.13
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine (CID 121358602) is 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccc5sc6ccc(-c7ccccc7)cc6c5c4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c21.

What is the InChIKey of 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine?

The InChIKey is UDWQEDSODUWTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2S/c1-63(2)55-23-11-9-19-50(55)51-22-14-26-58(62(51)63)64(47-33-27-42(28-34-47)45-32-38-60-54(40-45)53-39-44(31-37-59(53)66-60)41-15-5-3-6-16-41)48-35-29-43(30-36-48)49-21-13-25-57-61(49)52-20-10-12-24-56(52)65(57)46-17-7-4-8-18-46/h3-40H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine?

9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine has a molecular weight of 861.13 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine is sourced from PubChem (CID 121358602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).