13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]

C156H96N10O3 — CID 159462825

About 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]

13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] (PubChem CID 159462825) has the molecular formula C156H96N10O3 and a molecular weight of 2158.55 g/mol. Its IUPAC name is 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene].

Molecular Properties

• Compound Name: 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
• PubChem CID: 159462825
• Molecular Formula: C156H96N10O3
• Molecular Weight: 2158.55 g/mol
• Exact Mass: 2156.77
• IUPAC Name: 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3C53c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c(c65)Oc5ccccc5C75c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-c5ccccc54)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C58H36N4O.C51H31N3O.C47H29N3O/c1-3-16-37(17-4-1)38-30-32-40(33-31-38)56-59-55(39-18-5-2-6-19-39)60-57(61-56)41-20-15-21-42(36-41)62-51-28-13-9-24-45(51)46-34-35-50-54(53(46)62)63-52-29-14-12-27-49(52)58(50)47-25-10-7-22-43(47)44-23-8-11-26-48(44)58;1-2-14-32(15-3-1)33-26-28-34(29-27-33)47-39-19-6-11-23-44(39)52-50(53-47)54-45-24-12-7-18-37(45)38-30-31-43-49(48(38)54)55-46-25-13-10-22-42(46)51(43)40-20-8-4-16-35(40)36-17-5-9-21-41(36)51;1-3-15-30(16-4-1)40-29-43(49-46(48-40)31-17-5-2-6-18-31)50-41-25-13-9-21-34(41)35-27-28-39-45(44(35)50)51-42-26-14-12-24-38(42)47(39)36-22-10-7-19-32(36)33-20-8-11-23-37(33)47/h1-36H;1-31H;1-29H
• InChIKey: LUUOIYUDQYKILE-UHFFFAOYSA-N
• XLogP: 38.01
• TPSA: 132.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.55
LogP ≤ 5	38.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?

The IUPAC name of 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] (CID 159462825) is 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene].

What is the SMILES notation for 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?

The canonical SMILES for 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3C53c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c(c65)Oc5ccccc5C75c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-c5ccccc54)nc4ccccc34)cc2)cc1.

What is the InChIKey of 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?

The InChIKey is LUUOIYUDQYKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O.C51H31N3O.C47H29N3O/c1-3-16-37(17-4-1)38-30-32-40(33-31-38)56-59-55(39-18-5-2-6-19-39)60-57(61-56)41-20-15-21-42(36-41)62-51-28-13-9-24-45(51)46-34-35-50-54(53(46)62)63-52-29-14-12-27-49(52)58(50)47-25-10-7-22-43(47)44-23-8-11-26-48(44)58;1-2-14-32(15-3-1)33-26-28-34(29-27-33)47-39-19-6-11-23-44(39)52-50(53-47)54-45-24-12-7-18-37(45)38-30-31-43-49(48(38)54)55-46-25-13-10-22-42(46)51(43)40-20-8-4-16-35(40)36-17-5-9-21-41(36)51;1-3-15-30(16-4-1)40-29-43(49-46(48-40)31-17-5-2-6-18-31)50-41-25-13-9-21-34(41)35-27-28-39-45(44(35)50)51-42-26-14-12-24-38(42)47(39)36-22-10-7-19-32(36)33-20-8-11-23-37(33)47/h1-36H;1-31H;1-29H.

What are the key properties of 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?

13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] has a molecular weight of 2158.55 g/mol, XLogP of 38.01, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] is sourced from PubChem (CID 159462825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).