2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C206H137N15 — CID 159585255

About 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 159585255) has the molecular formula C206H137N15 and a molecular weight of 2822.47 g/mol. Its IUPAC name is 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 159585255
• Molecular Formula: C206H137N15
• Molecular Weight: 2822.47 g/mol
• Exact Mass: 2820.12
• IUPAC Name: 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc1c4c23.CC1(C)c2ccc(-c3ccc(-c4ccccc4)cn3)c3ccc4ccc5c(-c6ccc(-c7ccccc7)cn6)ccc1c5c4c23.c1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc-3c24)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5ccccc45)n3)cc2)cc1.c1cncc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)nc2)c1
• InChI: InChI=1S/C47H30N2.C43H30N2.C41H25N5.C38H27N3.C37H25N3/c1-4-13-31(14-5-1)37-28-29-38(32-15-6-2-7-16-32)46-41-30-27-36(39-19-12-20-40(44(39)41)45(37)46)33-23-25-34(26-24-33)47-48-42-21-10-11-22-43(42)49(47)35-17-8-3-9-18-35;1-43(2)36-21-19-32(38-23-15-30(25-44-38)27-9-5-3-6-10-27)34-17-13-29-14-18-35-33(20-22-37(43)42(35)40(29)41(34)36)39-24-16-31(26-45-39)28-11-7-4-8-12-28;1-3-13-30-26(10-1)22-36(34-17-7-5-15-32(30)34)39-44-40(37-23-27-11-2-4-14-31(27)33-16-6-8-18-35(33)37)46-41(45-39)38-20-19-29(25-43-38)28-12-9-21-42-24-28;1-38(2)31-22-29(24-12-6-3-7-13-24)20-27-18-19-28-21-30(23-32(38)34(28)33(27)31)37-40-35(25-14-8-4-9-15-25)39-36(41-37)26-16-10-5-11-17-26;1-3-10-26(11-4-1)28-18-22-31(23-19-28)35-38-36(32-24-20-29(21-25-32)27-12-5-2-6-13-27)40-37(39-35)34-17-9-15-30-14-7-8-16-33(30)34/h1-30H;3-26H,1-2H3;1-25H;3-23H,1-2H3;1-25H
• InChIKey: MJNNLWQJFNAPDI-UHFFFAOYSA-N
• XLogP: 52.53
• TPSA: 185.39 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2822.47
LogP ≤ 5	52.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 159585255) is 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc1c4c23.CC1(C)c2ccc(-c3ccc(-c4ccccc4)cn3)c3ccc4ccc5c(-c6ccc(-c7ccccc7)cn6)ccc1c5c4c23.c1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc-3c24)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5ccccc45)n3)cc2)cc1.c1cncc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)nc2)c1.

What is the InChIKey of 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is MJNNLWQJFNAPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2.C43H30N2.C41H25N5.C38H27N3.C37H25N3/c1-4-13-31(14-5-1)37-28-29-38(32-15-6-2-7-16-32)46-41-30-27-36(39-19-12-20-40(44(39)41)45(37)46)33-23-25-34(26-24-33)47-48-42-21-10-11-22-43(42)49(47)35-17-8-3-9-18-35;1-43(2)36-21-19-32(38-23-15-30(25-44-38)27-9-5-3-6-10-27)34-17-13-29-14-18-35-33(20-22-37(43)42(35)40(29)41(34)36)39-24-16-31(26-45-39)28-11-7-4-8-12-28;1-3-13-30-26(10-1)22-36(34-17-7-5-15-32(30)34)39-44-40(37-23-27-11-2-4-14-31(27)33-16-6-8-18-35(33)37)46-41(45-39)38-20-19-29(25-43-38)28-12-9-21-42-24-28;1-38(2)31-22-29(24-12-6-3-7-13-24)20-27-18-19-28-21-30(23-32(38)34(28)33(27)31)37-40-35(25-14-8-4-9-15-25)39-36(41-37)26-16-10-5-11-17-26;1-3-10-26(11-4-1)28-18-22-31(23-19-28)35-38-36(32-24-20-29(21-25-32)27-12-5-2-6-13-27)40-37(39-35)34-17-9-15-30-14-7-8-16-33(30)34/h1-30H;3-26H,1-2H3;1-25H;3-23H,1-2H3;1-25H.

What are the key properties of 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 2822.47 g/mol, XLogP of 52.53, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[19,19-dimethyl-12-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaenyl]-5-phenylpyridine;2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159585255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).