N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine

C70H48N2O — CID 167214769

About N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine

N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine (PubChem CID 167214769) has the molecular formula C70H48N2O and a molecular weight of 933.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
• PubChem CID: 167214769
• Molecular Formula: C70H48N2O
• Molecular Weight: 933.17 g/mol
• Exact Mass: 932.38
• IUPAC Name: N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)c4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc21
• InChI: InChI=1S/C70H48N2O/c1-69(2)61-25-13-9-23-55(61)57-43-51(35-37-62(57)69)71(52-36-40-68-60(44-52)56-24-12-16-28-67(56)73-68)50-33-29-45(30-34-50)46-31-38-65-58(41-46)59-42-48(32-39-66(59)72(65)49-19-7-4-8-20-49)70(47-17-5-3-6-18-47)63-26-14-10-21-53(63)54-22-11-15-27-64(54)70/h3-44H,1-2H3
• InChIKey: LWOCZWGDRFHTFM-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.17
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine (CID 167214769) is N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)c4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?

The InChIKey is LWOCZWGDRFHTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2O/c1-69(2)61-25-13-9-23-55(61)57-43-51(35-37-62(57)69)71(52-36-40-68-60(44-52)56-24-12-16-28-67(56)73-68)50-33-29-45(30-34-50)46-31-38-65-58(41-46)59-42-48(32-39-66(59)72(65)49-19-7-4-8-20-49)70(47-17-5-3-6-18-47)63-26-14-10-21-53(63)54-22-11-15-27-64(54)70/h3-44H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?

N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine has a molecular weight of 933.17 g/mol, XLogP of 18.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 167214769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).