4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine

C199H135N7 — CID 159219893

About 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine

4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine (PubChem CID 159219893) has the molecular formula C199H135N7 and a molecular weight of 2624.32 g/mol. Its IUPAC name is 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine.

Molecular Properties

• Compound Name: 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine
• PubChem CID: 159219893
• Molecular Formula: C199H135N7
• Molecular Weight: 2624.32 g/mol
• Exact Mass: 2622.08
• IUPAC Name: 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine
• SMILES: C1=CC2=CC=C(c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc34)CC2C=C1.CC1(c2ccccc2)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)nc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)n3)cc21.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(ccc6ccccc65)c4)cc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C59H41N3.C56H38N2.C47H31N.C37H25N/c1-59(51-17-9-4-10-18-51)54-20-12-11-19-52(54)53-38-37-50(39-55(53)59)58-61-56(48-33-29-46(30-34-48)44-25-21-42(22-26-44)40-13-5-2-6-14-40)60-57(62-58)49-35-31-47(32-36-49)45-27-23-43(24-28-45)41-15-7-3-8-16-41;1-3-15-40(16-4-1)52-36-53(58-56(57-52)42-17-5-2-6-18-42)41-27-23-39(24-28-41)45-31-32-50-51(35-45)55(47-30-26-38-14-8-10-20-44(38)34-47)49-22-12-11-21-48(49)54(50)46-29-25-37-13-7-9-19-43(37)33-46;1-3-15-34(16-4-1)44-30-37(31-45(48-44)35-17-5-2-6-18-35)32-26-28-36(29-27-32)46-40-21-9-11-23-42(40)47(43-24-12-10-22-41(43)46)39-25-13-19-33-14-7-8-20-38(33)39;1-3-9-26(10-4-1)27-15-18-30(19-16-27)37-25-33(24-36(38-37)29-12-5-2-6-13-29)31-21-22-35-32(23-31)20-17-28-11-7-8-14-34(28)35/h2-39H,1H3;1-33,35-36,44H,34H2;1-31H;1-25H
• InChIKey: KRNYQQSTWYJOJH-UHFFFAOYSA-N
• XLogP: 52.53
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 23
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2624.32
LogP ≤ 5	52.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine?

The IUPAC name of 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine (CID 159219893) is 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine.

What is the SMILES notation for 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine?

The canonical SMILES for 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine is C1=CC2=CC=C(c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc34)CC2C=C1.CC1(c2ccccc2)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)nc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)n3)cc21.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(ccc6ccccc65)c4)cc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine?

The InChIKey is KRNYQQSTWYJOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3.C56H38N2.C47H31N.C37H25N/c1-59(51-17-9-4-10-18-51)54-20-12-11-19-52(54)53-38-37-50(39-55(53)59)58-61-56(48-33-29-46(30-34-48)44-25-21-42(22-26-44)40-13-5-2-6-14-40)60-57(62-58)49-35-31-47(32-36-49)45-27-23-43(24-28-45)41-15-7-3-8-16-41;1-3-15-40(16-4-1)52-36-53(58-56(57-52)42-17-5-2-6-18-42)41-27-23-39(24-28-41)45-31-32-50-51(35-45)55(47-30-26-38-14-8-10-20-44(38)34-47)49-22-12-11-21-48(49)54(50)46-29-25-37-13-7-9-19-43(37)33-46;1-3-15-34(16-4-1)44-30-37(31-45(48-44)35-17-5-2-6-18-35)32-26-28-36(29-27-32)46-40-21-9-11-23-42(40)47(43-24-12-10-22-41(43)46)39-25-13-19-33-14-7-8-20-38(33)39;1-3-9-26(10-4-1)27-15-18-30(19-16-27)37-25-33(24-36(38-37)29-12-5-2-6-13-29)31-21-22-35-32(23-31)20-17-28-11-7-8-14-34(28)35/h2-39H,1H3;1-33,35-36,44H,34H2;1-31H;1-25H.

What are the key properties of 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine?

4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine has a molecular weight of 2624.32 g/mol, XLogP of 52.53, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[9-(1,8a-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-(9-methyl-9-phenylfluoren-2-yl)-4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyridine;4-phenanthren-2-yl-2-phenyl-6-(4-phenylphenyl)pyridine is sourced from PubChem (CID 159219893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).