9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine

C105H70N4O2 — CID 156549080

About 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine (PubChem CID 156549080) has the molecular formula C105H70N4O2 and a molecular weight of 1419.74 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine
• PubChem CID: 156549080
• Molecular Formula: C105H70N4O2
• Molecular Weight: 1419.74 g/mol
• Exact Mass: 1418.55
• IUPAC Name: 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5ccccc5c5c4oc4cccc(-c6cccnc6)c45)cc3)ccc2-c2cccc(-c3ccc(-c4cccc5oc6c(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)cc7)cc7ccccc7c6c45)nc3)c21
• InChI: InChI=1S/C105H70N4O2/c1-105(2)94-64-84(109(82-52-41-72(42-53-82)69-24-10-5-11-25-69)83-56-45-74(46-57-83)92-62-75-26-12-14-29-85(75)100-98-87(77-28-19-61-106-65-77)31-17-35-96(98)110-103(92)100)58-59-89(94)90-33-16-32-88(102(90)105)78-47-60-95(107-66-78)91-34-18-36-97-99(91)101-86-30-15-13-27-76(86)63-93(104(101)111-97)73-43-54-81(55-44-73)108(79-48-37-70(38-49-79)67-20-6-3-7-21-67)80-50-39-71(40-51-80)68-22-8-4-9-23-68/h3-66H,1-2H3
• InChIKey: NCGHMPMWBILFCH-UHFFFAOYSA-N
• XLogP: 29.16
• TPSA: 58.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1419.74
LogP ≤ 5	29.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine (CID 156549080) is 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5ccccc5c5c4oc4cccc(-c6cccnc6)c45)cc3)ccc2-c2cccc(-c3ccc(-c4cccc5oc6c(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)cc7)cc7ccccc7c6c45)nc3)c21.

What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine?

The InChIKey is NCGHMPMWBILFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H70N4O2/c1-105(2)94-64-84(109(82-52-41-72(42-53-82)69-24-10-5-11-25-69)83-56-45-74(46-57-83)92-62-75-26-12-14-29-85(75)100-98-87(77-28-19-61-106-65-77)31-17-35-96(98)110-103(92)100)58-59-89(94)90-33-16-32-88(102(90)105)78-47-60-95(107-66-78)91-34-18-36-97-99(91)101-86-30-15-13-27-76(86)63-93(104(101)111-97)73-43-54-81(55-44-73)108(79-48-37-70(38-49-79)67-20-6-3-7-21-67)80-50-39-71(40-51-80)68-22-8-4-9-23-68/h3-66H,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine has a molecular weight of 1419.74 g/mol, XLogP of 29.16, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-phenylphenyl)-8-[6-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphtho[2,1-b][1]benzofuran-11-yl]-3-pyridinyl]-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 156549080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).