N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C72H62N2 — CID 59649074

About N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 59649074) has the molecular formula C72H62N2 and a molecular weight of 955.30 g/mol. Its IUPAC name is N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 59649074
• Molecular Formula: C72H62N2
• Molecular Weight: 955.30 g/mol
• Exact Mass: 954.49
• IUPAC Name: N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C(C)(C)c4ccc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6)cc4C5(C)C)c3)cc21
• InChI: InChI=1S/C72H62N2/c1-69(2)61-31-17-15-29-57(61)59-37-35-55(45-65(59)69)73(51-23-11-9-12-24-51)53-27-19-21-47(41-53)49-33-39-63-67(43-49)71(5,6)64-40-34-50(44-68(64)72(63,7)8)48-22-20-28-54(42-48)74(52-25-13-10-14-26-52)56-36-38-60-58-30-16-18-32-62(58)70(3,4)66(60)46-56/h9-46H,1-8H3
• InChIKey: NNZFEJYGYFCDMO-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.30
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The IUPAC name of N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 59649074) is N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

What is the SMILES notation for N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The canonical SMILES for N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C(C)(C)c4ccc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6)cc4C5(C)C)c3)cc21.

What is the InChIKey of N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The InChIKey is NNZFEJYGYFCDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H62N2/c1-69(2)61-31-17-15-29-57(61)59-37-35-55(45-65(59)69)73(51-23-11-9-12-24-51)53-27-19-21-47(41-53)49-33-39-63-67(43-49)71(5,6)64-40-34-50(44-68(64)72(63,7)8)48-22-20-28-54(42-48)74(52-25-13-10-14-26-52)56-36-38-60-58-30-16-18-32-62(58)70(3,4)66(60)46-56/h9-46H,1-8H3.

What are the key properties of N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 955.30 g/mol, XLogP of 19.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 59649074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).