3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one

C162H100N14O3 — CID 159142039

About 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one

3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one (PubChem CID 159142039) has the molecular formula C162H100N14O3 and a molecular weight of 2290.68 g/mol. Its IUPAC name is 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one.

Molecular Properties

• Compound Name: 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one
• PubChem CID: 159142039
• Molecular Formula: C162H100N14O3
• Molecular Weight: 2290.68 g/mol
• Exact Mass: 2288.81
• IUPAC Name: 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one
• SMILES: O=c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2n1-c1ccccc1.O=c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)c2o1
• InChI: InChI=1S/C85H54N6O.C77H46N8O2/c92-85-70(73-53-72(58-31-13-4-14-32-58)86-84(87-73)59-33-15-5-16-34-59)52-71-80(89-74-40-22-19-37-64(74)67-49-60(43-46-77(67)89)55-25-7-1-8-26-55)54-81(90-75-41-23-20-38-65(75)68-50-61(44-47-78(68)90)56-27-9-2-10-28-56)83(82(71)88(85)63-35-17-6-18-36-63)91-76-42-24-21-39-66(76)69-51-62(45-48-79(69)91)57-29-11-3-12-30-57;86-68-46-59(75-79-73(47-24-3-1-4-25-47)78-74(80-75)48-26-5-2-6-27-48)57-36-23-37-58(72(57)87-68)69-70(82-60-38-15-7-28-49(60)50-29-8-16-39-61(50)82)76(84-64-42-19-11-32-53(64)54-33-12-20-43-65(54)84)81-77(85-66-44-21-13-34-55(66)56-35-14-22-45-67(56)85)71(69)83-62-40-17-9-30-51(62)52-31-10-18-41-63(52)83/h1-54H;1-46H
• InChIKey: KIFBGLOTFDDMQW-UHFFFAOYSA-N
• XLogP: 39.50
• TPSA: 164.06 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2290.68
LogP ≤ 5	39.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one?

The IUPAC name of 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one (CID 159142039) is 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one.

What is the SMILES notation for 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one?

The canonical SMILES for 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one is O=c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2n1-c1ccccc1.O=c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)c2o1.

What is the InChIKey of 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one?

The InChIKey is KIFBGLOTFDDMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H54N6O.C77H46N8O2/c92-85-70(73-53-72(58-31-13-4-14-32-58)86-84(87-73)59-33-15-5-16-34-59)52-71-80(89-74-40-22-19-37-64(74)67-49-60(43-46-77(67)89)55-25-7-1-8-26-55)54-81(90-75-41-23-20-38-65(75)68-50-61(44-47-78(68)90)56-27-9-2-10-28-56)83(82(71)88(85)63-35-17-6-18-36-63)91-76-42-24-21-39-66(76)69-51-62(45-48-79(69)91)57-29-11-3-12-30-57;86-68-46-59(75-79-73(47-24-3-1-4-25-47)78-74(80-75)48-26-5-2-6-27-48)57-36-23-37-58(72(57)87-68)69-70(82-60-38-15-7-28-49(60)50-29-8-16-39-61(50)82)76(84-64-42-19-11-32-53(64)54-33-12-20-43-65(54)84)81-77(85-66-44-21-13-34-55(66)56-35-14-22-45-67(56)85)71(69)83-62-40-17-9-30-51(62)52-31-10-18-41-63(52)83/h1-54H;1-46H.

What are the key properties of 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one?

3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one has a molecular weight of 2290.68 g/mol, XLogP of 39.50, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-diphenylpyrimidin-4-yl)-1-phenyl-5,7,8-tris(3-phenylcarbazol-9-yl)quinolin-2-one;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]chromen-2-one is sourced from PubChem (CID 159142039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).