2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine

C163H113N7 — CID 158911124

About 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine

2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 158911124) has the molecular formula C163H113N7 and a molecular weight of 2169.75 g/mol. Its IUPAC name is 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

• Compound Name: 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine
• PubChem CID: 158911124
• Molecular Formula: C163H113N7
• Molecular Weight: 2169.75 g/mol
• Exact Mass: 2167.91
• IUPAC Name: 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine
• SMILES: CC1(C)c2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2-c2cc3c(-c4cccc(-c5ccccc5)c4)c4ccccc4c(-c4cccc(-c5ccccc5)c4)c3cc21.CC1(C)c2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2-c2cc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3cc21.CC1(C)c2cc(-c3ccc(-c4cn5cccnc5n4)cc3)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21
• InChI: InChI=1S/C60H42N2.C56H38N2.C47H33N3/c1-60(2)54-35-45(41-26-28-42(29-27-41)56-38-62-32-12-11-25-57(62)61-56)30-31-48(54)51-36-52-53(37-55(51)60)59(47-22-14-20-44(34-47)40-17-7-4-8-18-40)50-24-10-9-23-49(50)58(52)46-21-13-19-43(33-46)39-15-5-3-6-16-39;1-56(2)50-31-39(35-24-26-38(27-25-35)52-34-58-30-10-9-23-53(58)57-52)28-29-42(50)47-32-48-49(33-51(47)56)55(44-22-12-16-37-14-4-6-18-41(37)44)46-20-8-7-19-45(46)54(48)43-21-11-15-36-13-3-5-17-40(36)43;1-47(2)41-26-34(30-18-20-31(21-19-30)43-29-50-25-11-24-48-46(50)49-43)22-23-35(41)38-27-39-40(28-42(38)47)45(33-14-7-4-8-15-33)37-17-10-9-16-36(37)44(39)32-12-5-3-6-13-32/h3-38H,1-2H3;3-34H,1-2H3;3-29H,1-2H3
• InChIKey: JGQWBMXHIIJVLL-UHFFFAOYSA-N
• XLogP: 42.88
• TPSA: 64.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2169.75
LogP ≤ 5	42.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine?

The IUPAC name of 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine (CID 158911124) is 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine.

What is the SMILES notation for 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine?

The canonical SMILES for 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine is CC1(C)c2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2-c2cc3c(-c4cccc(-c5ccccc5)c4)c4ccccc4c(-c4cccc(-c5ccccc5)c4)c3cc21.CC1(C)c2cc(-c3ccc(-c4cn5ccccc5n4)cc3)ccc2-c2cc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3cc21.CC1(C)c2cc(-c3ccc(-c4cn5cccnc5n4)cc3)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.

What is the InChIKey of 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine?

The InChIKey is JGQWBMXHIIJVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2.C56H38N2.C47H33N3/c1-60(2)54-35-45(41-26-28-42(29-27-41)56-38-62-32-12-11-25-57(62)61-56)30-31-48(54)51-36-52-53(37-55(51)60)59(47-22-14-20-44(34-47)40-17-7-4-8-18-40)50-24-10-9-23-49(50)58(52)46-21-13-19-43(33-46)39-15-5-3-6-16-39;1-56(2)50-31-39(35-24-26-38(27-25-35)52-34-58-30-10-9-23-53(58)57-52)28-29-42(50)47-32-48-49(33-51(47)56)55(44-22-12-16-37-14-4-6-18-41(37)44)46-20-8-7-19-45(46)54(48)43-21-11-15-36-13-3-5-17-40(36)43;1-47(2)41-26-34(30-18-20-31(21-19-30)43-29-50-25-11-24-48-46(50)49-43)22-23-35(41)38-27-39-40(28-42(38)47)45(33-14-7-4-8-15-33)37-17-10-9-16-36(37)44(39)32-12-5-3-6-13-32/h3-38H,1-2H3;3-34H,1-2H3;3-29H,1-2H3.

What are the key properties of 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine?

2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 2169.75 g/mol, XLogP of 42.88, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[10,10-dimethyl-14,21-bis(3-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyridine;2-[4-(10,10-dimethyl-14,21-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 158911124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).