4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]

C180H111N9 — CID 161079471

About 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]

4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] (PubChem CID 161079471) has the molecular formula C180H111N9 and a molecular weight of 2399.93 g/mol. Its IUPAC name is 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline].

Molecular Properties

• Compound Name: 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
• PubChem CID: 161079471
• Molecular Formula: C180H111N9
• Molecular Weight: 2399.93 g/mol
• Exact Mass: 2397.90
• IUPAC Name: 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
• SMILES: c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc(-c4cc(-c5ccccc5)nc5cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccc6ccccc6c5)nc5cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6ccccc56)nc5cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/3C60H37N3/c1-3-18-39(19-4-1)55-37-56(40-20-5-2-6-21-40)63-59(62-55)42-24-15-23-41(33-42)48-35-57(47-29-16-22-38-17-7-8-25-43(38)47)61-58-36-54-49(34-50(48)58)46-28-11-14-32-53(46)60(54)51-30-12-9-26-44(51)45-27-10-13-31-52(45)60;1-3-17-39(18-4-1)56-37-57(40-19-5-2-6-20-40)63-59(62-56)44-23-15-22-42(33-44)48-35-55(43-31-30-38-16-7-8-21-41(38)32-43)61-58-36-54-49(34-50(48)58)47-26-11-14-29-53(47)60(54)51-27-12-9-24-45(51)46-25-10-13-28-52(46)60;1-3-17-39(18-4-1)55-35-48(42-22-15-23-44(33-42)59-62-56(40-19-5-2-6-20-40)37-57(63-59)43-31-30-38-16-7-8-21-41(38)32-43)50-34-49-47-26-11-14-29-53(47)60(54(49)36-58(50)61-55)51-27-12-9-24-45(51)46-25-10-13-28-52(46)60/h3*1-37H
• InChIKey: UFSKHDQZZYMXBA-UHFFFAOYSA-N
• XLogP: 44.57
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2399.93
LogP ≤ 5	44.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]?

The IUPAC name of 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] (CID 161079471) is 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline].

What is the SMILES notation for 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]?

The canonical SMILES for 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc(-c4cc(-c5ccccc5)nc5cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccc6ccccc6c5)nc5cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6ccccc56)nc5cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1.

What is the InChIKey of 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]?

The InChIKey is UFSKHDQZZYMXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C60H37N3/c1-3-18-39(19-4-1)55-37-56(40-20-5-2-6-21-40)63-59(62-55)42-24-15-23-41(33-42)48-35-57(47-29-16-22-38-17-7-8-25-43(38)47)61-58-36-54-49(34-50(48)58)46-28-11-14-32-53(46)60(54)51-30-12-9-26-44(51)45-27-10-13-31-52(45)60;1-3-17-39(18-4-1)56-37-57(40-19-5-2-6-20-40)63-59(62-56)44-23-15-22-42(33-44)48-35-55(43-31-30-38-16-7-8-21-41(38)32-43)61-58-36-54-49(34-50(48)58)47-26-11-14-29-53(47)60(54)51-27-12-9-24-45(51)46-25-10-13-28-52(46)60;1-3-17-39(18-4-1)55-35-48(42-22-15-23-44(33-42)59-62-56(40-19-5-2-6-20-40)37-57(63-59)43-31-30-38-16-7-8-21-41(38)32-43)50-34-49-47-26-11-14-29-53(47)60(54(49)36-58(50)61-55)51-27-12-9-24-45(51)46-25-10-13-28-52(46)60/h3*1-37H.

What are the key properties of 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]?

4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] has a molecular weight of 2399.93 g/mol, XLogP of 44.57, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] is sourced from PubChem (CID 161079471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).