N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine

C63H43N3O — CID 71038532

About N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 71038532) has the molecular formula C63H43N3O and a molecular weight of 858.06 g/mol. Its IUPAC name is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
• PubChem CID: 71038532
• Molecular Formula: C63H43N3O
• Molecular Weight: 858.06 g/mol
• Exact Mass: 857.34
• IUPAC Name: N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C63H43N3O/c1-63(2)54-38-44(32-35-46(54)47-36-33-45(39-55(47)63)66-57-23-11-6-17-48(57)49-18-7-12-24-58(49)66)64(59-25-14-21-53-52-20-9-13-26-61(52)67-62(53)59)43-30-27-40(28-31-43)41-29-34-51-50-19-8-10-22-56(50)65(60(51)37-41)42-15-4-3-5-16-42/h3-39H,1-2H3
• InChIKey: TVRJBQOIECTCJD-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.06
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine?

The IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine (CID 71038532) is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine.

What is the SMILES notation for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine?

The canonical SMILES for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine?

The InChIKey is TVRJBQOIECTCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3O/c1-63(2)54-38-44(32-35-46(54)47-36-33-45(39-55(47)63)66-57-23-11-6-17-48(57)49-18-7-12-24-58(49)66)64(59-25-14-21-53-52-20-9-13-26-61(52)67-62(53)59)43-30-27-40(28-31-43)41-29-34-51-50-19-8-10-22-56(50)65(60(51)37-41)42-15-4-3-5-16-42/h3-39H,1-2H3.

What are the key properties of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine?

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 858.06 g/mol, XLogP of 17.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 71038532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).