16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

C248H166N20 — CID 157318121

About 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 157318121) has the molecular formula C248H166N20 and a molecular weight of 3426.20 g/mol. Its IUPAC name is 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
• PubChem CID: 157318121
• Molecular Formula: C248H166N20
• Molecular Weight: 3426.20 g/mol
• Exact Mass: 3423.36
• IUPAC Name: 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
• SMILES: Cc1ccc(C2(c3ccc(C)cc3)c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cccc2c43)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cccc2c43)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1
• InChI: InChI=1S/C51H33N5.2C50H32N4.C49H35N3.C48H34N4/c1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-33-37(28-30-48(44)56)36-27-29-47-43(32-36)41-23-10-12-25-45(41)55(47)39-20-8-3-9-21-39;1-3-14-33(15-4-1)49-41-22-7-10-23-44(41)51-50(52-49)36-16-13-19-38(30-36)54-46-25-12-9-21-40(46)43-32-35(27-29-48(43)54)34-26-28-47-42(31-34)39-20-8-11-24-45(39)53(47)37-17-5-2-6-18-37;1-3-13-33(14-4-1)49-41-19-7-10-20-44(41)51-50(52-49)34-23-27-38(28-24-34)54-46-22-12-9-18-40(46)43-32-36(26-30-48(43)54)35-25-29-47-42(31-35)39-17-8-11-21-45(39)53(47)37-15-5-2-6-16-37;1-32-20-25-37(26-21-32)49(38-27-22-33(2)23-28-38)41-18-11-17-40-39-16-9-10-19-45(39)52(47(40)41)46-29-24-36(30-42(46)49)48-50-43(34-12-5-3-6-13-34)31-44(51-48)35-14-7-4-8-15-35;1-31-20-25-36(26-21-31)48(37-27-22-32(2)23-28-37)40-18-11-17-39-38-16-9-10-19-42(38)52(44(39)40)43-29-24-35(30-41(43)48)47-50-45(33-12-5-3-6-13-33)49-46(51-47)34-14-7-4-8-15-34/h1-33H;2*1-32H;3-31H,1-2H3;3-30H,1-2H3
• InChIKey: BDVQOFMHUGAJOR-UHFFFAOYSA-N
• XLogP: 61.55
• TPSA: 194.12 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3426.20
LogP ≤ 5	61.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?

The IUPAC name of 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 157318121) is 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.

What is the SMILES notation for 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?

The canonical SMILES for 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is Cc1ccc(C2(c3ccc(C)cc3)c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cccc2c43)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cccc2c43)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.

What is the InChIKey of 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?

The InChIKey is BDVQOFMHUGAJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.2C50H32N4.C49H35N3.C48H34N4/c1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-33-37(28-30-48(44)56)36-27-29-47-43(32-36)41-23-10-12-25-45(41)55(47)39-20-8-3-9-21-39;1-3-14-33(15-4-1)49-41-22-7-10-23-44(41)51-50(52-49)36-16-13-19-38(30-36)54-46-25-12-9-21-40(46)43-32-35(27-29-48(43)54)34-26-28-47-42(31-34)39-20-8-11-24-45(39)53(47)37-17-5-2-6-18-37;1-3-13-33(14-4-1)49-41-19-7-10-20-44(41)51-50(52-49)34-23-27-38(28-24-34)54-46-22-12-9-18-40(46)43-32-36(26-30-48(43)54)35-25-29-47-42(31-35)39-17-8-11-21-45(39)53(47)37-15-5-2-6-16-37;1-32-20-25-37(26-21-32)49(38-27-22-33(2)23-28-38)41-18-11-17-40-39-16-9-10-19-45(39)52(47(40)41)46-29-24-36(30-42(46)49)48-50-43(34-12-5-3-6-13-34)31-44(51-48)35-14-7-4-8-15-35;1-31-20-25-36(26-21-31)48(37-27-22-32(2)23-28-37)40-18-11-17-39-38-16-9-10-19-42(38)52(44(39)40)43-29-24-35(30-41(43)48)47-50-45(33-12-5-3-6-13-33)49-46(51-47)34-14-7-4-8-15-34/h1-33H;2*1-32H;3-31H,1-2H3;3-30H,1-2H3.

What are the key properties of 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?

16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 3426.20 g/mol, XLogP of 61.55, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 157318121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).