12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline

C228H140N20OS — CID 165033118

About 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline

12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline (PubChem CID 165033118) has the molecular formula C228H140N20OS and a molecular weight of 3207.83 g/mol. Its IUPAC name is 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline.

Molecular Properties

• Compound Name: 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline
• PubChem CID: 165033118
• Molecular Formula: C228H140N20OS
• Molecular Weight: 3207.83 g/mol
• Exact Mass: 3205.12
• IUPAC Name: 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline
• SMILES: [C-]#[N+]c1ccc(-c2cc3c4cccnc4c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)n5)c4)cc3c3ccccc23)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc4c5cccnc5c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)c5)cc4c4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc4c5cccnc5c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)cc4c4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc4c5cccnc5c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)sc7ccccc78)n6)c5)cc4c4ccccc34)cc2)cc1
• InChI: InChI=1S/C60H39N5.C57H33N5O.C57H33N5S.C54H35N5/c1-60(2)54-21-10-9-19-47(54)48-31-28-43(34-55(48)60)59-64-57(40-13-5-4-6-14-40)63-58(65-59)42-16-11-15-41(33-42)51-36-52-46-18-8-7-17-45(46)50(35-53(52)49-20-12-32-62-56(49)51)39-24-22-37(23-25-39)38-26-29-44(61-3)30-27-38;2*1-58-42-27-24-36(25-28-42)35-20-22-37(23-21-35)48-33-51-47-18-10-30-59-54(47)49(34-50(51)44-16-6-5-15-43(44)48)39-13-9-14-40(31-39)56-60-55(38-11-3-2-4-12-38)61-57(62-56)41-26-29-46-45-17-7-8-19-52(45)63-53(46)32-41;1-54(2)48-21-10-9-19-41(48)42-27-24-37(30-49(42)54)53-58-51(34-13-5-4-6-14-34)57-52(59-53)36-16-11-15-35(29-36)45-32-46-40-18-8-7-17-39(40)44(33-22-25-38(55-3)26-23-33)31-47(46)43-20-12-28-56-50(43)45/h4-36H,1-2H3;2*2-34H;4-32H,1-2H3
• InChIKey: MYVVJBXOKQNSMX-UHFFFAOYSA-N
• XLogP: 60.33
• TPSA: 236.82 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3207.83
LogP ≤ 5	60.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline?

The IUPAC name of 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline (CID 165033118) is 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline.

What is the SMILES notation for 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline?

The canonical SMILES for 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline is [C-]#[N+]c1ccc(-c2cc3c4cccnc4c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)n5)c4)cc3c3ccccc23)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc4c5cccnc5c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)c5)cc4c4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc4c5cccnc5c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)cc4c4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc4c5cccnc5c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)sc7ccccc78)n6)c5)cc4c4ccccc34)cc2)cc1.

What is the InChIKey of 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline?

The InChIKey is MYVVJBXOKQNSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N5.C57H33N5O.C57H33N5S.C54H35N5/c1-60(2)54-21-10-9-19-47(54)48-31-28-43(34-55(48)60)59-64-57(40-13-5-4-6-14-40)63-58(65-59)42-16-11-15-41(33-42)51-36-52-46-18-8-7-17-45(46)50(35-53(52)49-20-12-32-62-56(49)51)39-24-22-37(23-25-39)38-26-29-44(61-3)30-27-38;2*1-58-42-27-24-36(25-28-42)35-20-22-37(23-21-35)48-33-51-47-18-10-30-59-54(47)49(34-50(51)44-16-6-5-15-43(44)48)39-13-9-14-40(31-39)56-60-55(38-11-3-2-4-12-38)61-57(62-56)41-26-29-46-45-17-7-8-19-52(45)63-53(46)32-41;1-54(2)48-21-10-9-19-41(48)42-27-24-37(30-49(42)54)53-58-51(34-13-5-4-6-14-34)57-52(59-53)36-16-11-15-35(29-36)45-32-46-40-18-8-7-17-39(40)44(33-22-25-38(55-3)26-23-33)31-47(46)43-20-12-28-56-50(43)45/h4-36H,1-2H3;2*2-34H;4-32H,1-2H3.

What are the key properties of 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline?

12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline has a molecular weight of 3207.83 g/mol, XLogP of 60.33, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-isocyanophenyl)naphtho[2,1-f]quinoline;12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[4-(4-isocyanophenyl)phenyl]naphtho[2,1-f]quinoline is sourced from PubChem (CID 165033118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).