N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine

C100H62F4N4 — CID 163655414

About N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine

N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine (PubChem CID 163655414) has the molecular formula C100H62F4N4 and a molecular weight of 1395.62 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine
• PubChem CID: 163655414
• Molecular Formula: C100H62F4N4
• Molecular Weight: 1395.62 g/mol
• Exact Mass: 1394.49
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine
• SMILES: Fc1cc(-c2ccc(-c3c4ccccc4c(-c4ccccc4F)c4cccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c34)c(F)c2)ccc1-c1c2ccccc2c(-c2ccccc2F)c2cc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc12
• InChI: InChI=1S/C100H62F4N4/c101-87-39-17-11-36-81(87)97-78-34-9-10-35-79(78)99(100-85(97)38-23-45-95(100)106(66-26-5-2-6-27-66)68-50-54-70(55-51-68)108-93-43-21-15-30-74(93)75-31-16-22-44-94(75)108)84-58-47-64(61-90(84)104)63-46-57-83(89(103)60-63)96-76-32-7-8-33-77(76)98(82-37-12-18-40-88(82)102)86-62-71(56-59-80(86)96)105(65-24-3-1-4-25-65)67-48-52-69(53-49-67)107-91-41-19-13-28-72(91)73-29-14-20-42-92(73)107/h1-62H
• InChIKey: IPUNWXMDCGCREZ-UHFFFAOYSA-N
• XLogP: 28.32
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1395.62
LogP ≤ 5	28.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine (CID 163655414) is N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine is Fc1cc(-c2ccc(-c3c4ccccc4c(-c4ccccc4F)c4cccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c34)c(F)c2)ccc1-c1c2ccccc2c(-c2ccccc2F)c2cc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc12.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine?

The InChIKey is IPUNWXMDCGCREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H62F4N4/c101-87-39-17-11-36-81(87)97-78-34-9-10-35-79(78)99(100-85(97)38-23-45-95(100)106(66-26-5-2-6-27-66)68-50-54-70(55-51-68)108-93-43-21-15-30-74(93)75-31-16-22-44-94(75)108)84-58-47-64(61-90(84)104)63-46-57-83(89(103)60-63)96-76-32-7-8-33-77(76)98(82-37-12-18-40-88(82)102)86-62-71(56-59-80(86)96)105(65-24-3-1-4-25-65)67-48-52-69(53-49-67)107-91-41-19-13-28-72(91)73-29-14-20-42-92(73)107/h1-62H.

What are the key properties of N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine?

N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine has a molecular weight of 1395.62 g/mol, XLogP of 28.32, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine is sourced from PubChem (CID 163655414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).