2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline

C306H198N18 — CID 159757937

About 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline

2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline (PubChem CID 159757937) has the molecular formula C306H198N18 and a molecular weight of 4127.08 g/mol. Its IUPAC name is 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline.

Molecular Properties

• Compound Name: 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline
• PubChem CID: 159757937
• Molecular Formula: C306H198N18
• Molecular Weight: 4127.08 g/mol
• Exact Mass: 4123.60
• IUPAC Name: 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c4cccnc4c4ncccc4c3n2)cc1.c1ccc(-c2nc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc(-c5c6ccc7ccccc7c6nc6c5ccc5ccccc56)cc4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6ccc7ccccc7c6n5)ccc34)ccc2c1
• InChI: InChI=1S/C55H37N5.C52H36N2.C47H29N.C46H29N3.C43H28N2.C42H26N2.C21H13N3/c1-7-19-38(20-8-1)48-34-45(35-49(56-48)39-21-9-2-10-22-39)44-31-46(52-36-50(40-23-11-3-12-24-40)57-54(59-52)42-27-15-5-16-28-42)33-47(32-44)53-37-51(41-25-13-4-14-26-41)58-55(60-53)43-29-17-6-18-30-43;1-52(2)45-21-11-10-18-39(45)42-31-43-44(32-46(42)52)50(37-29-24-33-14-6-7-15-36(33)30-37)41-20-9-8-19-40(41)49(43)34-25-27-35(28-26-34)51-53-47-22-12-13-23-48(47)54(51)38-16-4-3-5-17-38;1-3-12-34-27-37(21-17-30(34)9-1)45-40-15-7-8-16-41(40)46(38-22-18-31-10-2-4-13-35(31)28-38)43-29-36(23-25-42(43)45)44-26-24-33-20-19-32-11-5-6-14-39(32)47(33)48-44;1-2-12-36(13-3-1)49-42-17-9-8-16-41(42)47-46(49)35-24-20-31(21-25-35)30-18-22-34(23-19-30)43-39-28-26-32-10-4-6-14-37(32)44(39)48-45-38-15-7-5-11-33(38)27-29-40(43)45;1-3-15-31(16-4-1)43-44-41-39(34-25-23-29-13-7-9-17-32(29)27-34)37-21-11-12-22-38(37)40(42(41)45(43)36-19-5-2-6-20-36)35-26-24-30-14-8-10-18-33(30)28-35;1-2-9-32-26-33(22-15-27(32)8-1)40-36-13-5-3-11-34(36)39(35-12-4-6-14-37(35)40)29-18-16-28(17-19-29)38-24-23-31-21-20-30-10-7-25-43-41(30)42(31)44-38;1-2-6-14(7-3-1)18-11-10-16-15-8-4-12-22-20(15)21-17(19(16)24-18)9-5-13-23-21/h1-37H;3-32H,1-2H3;1-29H;1-29H;1-28H;1-26H;1-13H
• InChIKey: NEMUGTXIXUIMCH-UHFFFAOYSA-N
• XLogP: 80.22
• TPSA: 208.14 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 324
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4127.08
LogP ≤ 5	80.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline?

The IUPAC name of 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline (CID 159757937) is 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline.

What is the SMILES notation for 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline?

The canonical SMILES for 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline is CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c4cccnc4c4ncccc4c3n2)cc1.c1ccc(-c2nc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc(-c5c6ccc7ccccc7c6nc6c5ccc5ccccc56)cc4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6ccc7ccccc7c6n5)ccc34)ccc2c1.

What is the InChIKey of 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline?

The InChIKey is NEMUGTXIXUIMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5.C52H36N2.C47H29N.C46H29N3.C43H28N2.C42H26N2.C21H13N3/c1-7-19-38(20-8-1)48-34-45(35-49(56-48)39-21-9-2-10-22-39)44-31-46(52-36-50(40-23-11-3-12-24-40)57-54(59-52)42-27-15-5-16-28-42)33-47(32-44)53-37-51(41-25-13-4-14-26-41)58-55(60-53)43-29-17-6-18-30-43;1-52(2)45-21-11-10-18-39(45)42-31-43-44(32-46(42)52)50(37-29-24-33-14-6-7-15-36(33)30-37)41-20-9-8-19-40(41)49(43)34-25-27-35(28-26-34)51-53-47-22-12-13-23-48(47)54(51)38-16-4-3-5-17-38;1-3-12-34-27-37(21-17-30(34)9-1)45-40-15-7-8-16-41(40)46(38-22-18-31-10-2-4-13-35(31)28-38)43-29-36(23-25-42(43)45)44-26-24-33-20-19-32-11-5-6-14-39(32)47(33)48-44;1-2-12-36(13-3-1)49-42-17-9-8-16-41(42)47-46(49)35-24-20-31(21-25-35)30-18-22-34(23-19-30)43-39-28-26-32-10-4-6-14-37(32)44(39)48-45-38-15-7-5-11-33(38)27-29-40(43)45;1-3-15-31(16-4-1)43-44-41-39(34-25-23-29-13-7-9-17-32(29)27-34)37-21-11-12-22-38(37)40(42(41)45(43)36-19-5-2-6-20-36)35-26-24-30-14-8-10-18-33(30)28-35;1-2-9-32-26-33(22-15-27(32)8-1)40-36-13-5-3-11-34(36)39(35-12-4-6-14-37(35)40)29-18-16-28(17-19-29)38-24-23-31-21-20-30-10-7-25-43-41(30)42(31)44-38;1-2-6-14(7-3-1)18-11-10-16-15-8-4-12-22-20(15)21-17(19(16)24-18)9-5-13-23-21/h1-37H;3-32H,1-2H3;1-29H;1-29H;1-28H;1-26H;1-13H.

What are the key properties of 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline?

2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline has a molecular weight of 4127.08 g/mol, XLogP of 80.22, 28 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline is sourced from PubChem (CID 159757937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).