6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C55H42N2 — CID 118879563

About 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 118879563) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 118879563
• Molecular Formula: C55H42N2
• Molecular Weight: 730.96 g/mol
• Exact Mass: 730.33
• IUPAC Name: 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccc(C=C)cc5-6)cc4)ccc32)cc1
• InChI: InChI=1S/C55H42N2/c1-5-37-16-24-45(25-17-37)57-53-15-11-10-14-48(53)50-35-42(23-33-54(50)57)41-21-28-44(29-22-41)56(43-26-19-40(20-27-43)39-12-8-7-9-13-39)46-30-31-47-49-34-38(6-2)18-32-51(49)55(3,4)52(47)36-46/h5-36H,1-2H2,3-4H3
• InChIKey: RMNXOTMVAMPWTO-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.96
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 118879563) is 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccc(C=C)cc5-6)cc4)ccc32)cc1.

What is the InChIKey of 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is RMNXOTMVAMPWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-5-37-16-24-45(25-17-37)57-53-15-11-10-14-48(53)50-35-42(23-33-54(50)57)41-21-28-44(29-22-41)56(43-26-19-40(20-27-43)39-12-8-7-9-13-39)46-30-31-47-49-34-38(6-2)18-32-51(49)55(3,4)52(47)36-46/h5-36H,1-2H2,3-4H3.

What are the key properties of 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 730.96 g/mol, XLogP of 15.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118879563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).