N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

C79H56N2 — CID 118087782

About N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (PubChem CID 118087782) has the molecular formula C79H56N2 and a molecular weight of 1033.33 g/mol. Its IUPAC name is N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
• PubChem CID: 118087782
• Molecular Formula: C79H56N2
• Molecular Weight: 1033.33 g/mol
• Exact Mass: 1032.44
• IUPAC Name: N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccccc6)cc5)c4)cc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C79H56N2/c1-79(2)73-28-14-11-26-69(73)70-46-45-65(52-74(70)79)80(76-31-17-23-60-22-9-10-24-67(60)76)75-29-15-12-25-68(75)61-42-40-57(41-43-61)62-44-47-78-72(51-62)71-27-13-16-30-77(71)81(78)66-49-63(58-36-32-55(33-37-58)53-18-5-3-6-19-53)48-64(50-66)59-38-34-56(35-39-59)54-20-7-4-8-21-54/h3-52H,1-2H3
• InChIKey: SLQNKFXDXKEONA-UHFFFAOYSA-N
• XLogP: 21.72
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.33
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?

The IUPAC name of N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (CID 118087782) is N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.

What is the SMILES notation for N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?

The canonical SMILES for N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccccc6)cc5)c4)cc3)c3cccc4ccccc34)cc21.

What is the InChIKey of N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?

The InChIKey is SLQNKFXDXKEONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H56N2/c1-79(2)73-28-14-11-26-69(73)70-46-45-65(52-74(70)79)80(76-31-17-23-60-22-9-10-24-67(60)76)75-29-15-12-25-68(75)61-42-40-57(41-43-61)62-44-47-78-72(51-62)71-27-13-16-30-77(71)81(78)66-49-63(58-36-32-55(33-37-58)53-18-5-3-6-19-53)48-64(50-66)59-38-34-56(35-39-59)54-20-7-4-8-21-54/h3-52H,1-2H3.

What are the key properties of N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?

N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine has a molecular weight of 1033.33 g/mol, XLogP of 21.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 118087782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).