2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C313H187N21O6 — CID 162121733

About 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 162121733) has the molecular formula C313H187N21O6 and a molecular weight of 4338.08 g/mol. Its IUPAC name is 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 162121733
• Molecular Formula: C313H187N21O6
• Molecular Weight: 4338.08 g/mol
• Exact Mass: 4334.50
• IUPAC Name: 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: [C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)c3ccccc23)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c3ccccc23)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc6ccccc6c5)n4)cc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc32)cc1.[C-]#[N+]c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21.[C-]#[N+]c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21
• InChI: InChI=1S/C58H35N3O.C57H34N4O.C52H31N3O.C51H30N4O.C48H29N3O.C47H28N4O/c1-59-42-28-24-37(25-29-42)43-31-32-44(46-19-9-8-18-45(43)46)40-27-33-56-52(34-40)58(50-22-12-13-23-55(50)62-56)49-21-11-10-20-47(49)48-30-26-41(35-51(48)58)57-60-53(38-14-4-2-5-15-38)36-54(61-57)39-16-6-3-7-17-39;1-58-41-28-24-36(25-29-41)42-31-32-43(45-19-9-8-18-44(42)45)39-27-33-53-51(34-39)57(49-22-12-13-23-52(49)62-53)48-21-11-10-20-46(48)47-30-26-40(35-50(47)57)56-60-54(37-14-4-2-5-15-37)59-55(61-56)38-16-6-3-7-17-38;1-53-40-25-21-34(22-26-40)37-24-28-50-46(30-37)52(44-17-9-10-18-49(44)56-50)43-16-8-7-15-41(43)42-27-23-39(31-45(42)52)51-54-47(35-12-3-2-4-13-35)32-48(55-51)38-20-19-33-11-5-6-14-36(33)29-38;1-52-39-25-21-33(22-26-39)36-24-28-47-45(30-36)51(43-17-9-10-18-46(43)56-47)42-16-8-7-15-40(42)41-27-23-38(31-44(41)51)50-54-48(34-12-3-2-4-13-34)53-49(55-50)37-20-19-32-11-5-6-14-35(32)29-37;1-49-36-25-27-46-42(29-36)48(40-18-10-11-19-45(40)52-46)39-17-9-8-16-37(39)38-26-24-35(28-41(38)48)31-20-22-34(23-21-31)47-50-43(32-12-4-2-5-13-32)30-44(51-47)33-14-6-3-7-15-33;1-48-35-25-27-43-41(29-35)47(39-18-10-11-19-42(39)52-43)38-17-9-8-16-36(38)37-26-24-34(28-40(37)47)30-20-22-33(23-21-30)46-50-44(31-12-4-2-5-13-31)49-45(51-46)32-14-6-3-7-15-32/h2-36H;2-35H;2-32H;2-31H;2-30H;2-29H
• InChIKey: ZHMOVADGUTZATQ-UHFFFAOYSA-N
• XLogP: 79.12
• TPSA: 274.89 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 340
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4338.08
LogP ≤ 5	79.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 162121733) is 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is [C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)c3ccccc23)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c3ccccc23)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc6ccccc6c5)n4)cc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc32)cc1.[C-]#[N+]c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21.[C-]#[N+]c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21.

What is the InChIKey of 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is ZHMOVADGUTZATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O.C57H34N4O.C52H31N3O.C51H30N4O.C48H29N3O.C47H28N4O/c1-59-42-28-24-37(25-29-42)43-31-32-44(46-19-9-8-18-45(43)46)40-27-33-56-52(34-40)58(50-22-12-13-23-55(50)62-56)49-21-11-10-20-47(49)48-30-26-41(35-51(48)58)57-60-53(38-14-4-2-5-15-38)36-54(61-57)39-16-6-3-7-17-39;1-58-41-28-24-36(25-29-41)42-31-32-43(45-19-9-8-18-44(42)45)39-27-33-53-51(34-39)57(49-22-12-13-23-52(49)62-53)48-21-11-10-20-46(48)47-30-26-40(35-50(47)57)56-60-54(37-14-4-2-5-15-37)59-55(61-56)38-16-6-3-7-17-38;1-53-40-25-21-34(22-26-40)37-24-28-50-46(30-37)52(44-17-9-10-18-49(44)56-50)43-16-8-7-15-41(43)42-27-23-39(31-45(42)52)51-54-47(35-12-3-2-4-13-35)32-48(55-51)38-20-19-33-11-5-6-14-36(33)29-38;1-52-39-25-21-33(22-26-39)36-24-28-47-45(30-36)51(43-17-9-10-18-46(43)56-47)42-16-8-7-15-40(42)41-27-23-38(31-44(41)51)50-54-48(34-12-3-2-4-13-34)53-49(55-50)37-20-19-32-11-5-6-14-35(32)29-37;1-49-36-25-27-46-42(29-36)48(40-18-10-11-19-45(40)52-46)39-17-9-8-16-37(39)38-26-24-35(28-41(38)48)31-20-22-34(23-21-31)47-50-43(32-12-4-2-5-13-32)30-44(51-47)33-14-6-3-7-15-33;1-48-35-25-27-43-41(29-35)47(39-18-10-11-19-42(39)52-43)38-17-9-8-16-36(38)37-26-24-34(28-40(37)47)30-20-22-33(23-21-30)46-50-44(31-12-4-2-5-13-31)49-45(51-46)32-14-6-3-7-15-32/h2-36H;2-35H;2-32H;2-31H;2-30H;2-29H.

What are the key properties of 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 4338.08 g/mol, XLogP of 79.12, 26 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenylpyrimidine;2-[2'-[4-(4-isocyanophenyl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[2'-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(2'-isocyanospiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162121733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).