2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline

C207H137N17 — CID 159469299

About 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline

2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline (PubChem CID 159469299) has the molecular formula C207H137N17 and a molecular weight of 2862.49 g/mol. Its IUPAC name is 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline.

Molecular Properties

• Compound Name: 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline
• PubChem CID: 159469299
• Molecular Formula: C207H137N17
• Molecular Weight: 2862.49 g/mol
• Exact Mass: 2860.12
• IUPAC Name: 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline
• SMILES: CC1(C)c2ccc(-c3ccc(-c4ccccc4)cn3)c3ccc4cc(-c5ccc(-c6ccccc6)cn5)c5cccc1c5c4c23.Cn1c(-c2ccccc2)nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc21.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)cc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1cncc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)nc2)c1
• InChI: InChI=1S/C43H28N4.C43H30N2.C41H25N5.C40H26N4.C40H28N2/c1-3-12-33(13-4-1)42-45-40(37-28-27-31-11-7-8-16-36(31)41(37)46-42)32-23-19-29(20-24-32)30-21-25-34(26-22-30)43-44-38-17-9-10-18-39(38)47(43)35-14-5-2-6-15-35;1-43(2)36-15-9-14-33-35(39-23-18-31(26-45-39)28-12-7-4-8-13-28)24-29-16-19-34-32(20-21-37(43)42(34)40(29)41(33)36)38-22-17-30(25-44-38)27-10-5-3-6-11-27;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;1-3-12-27(13-4-1)38-42-39(28-14-5-2-6-15-28)44-40(43-38)33-23-31(30-17-11-21-41-26-30)22-32(24-33)37-25-29-16-7-8-18-34(29)35-19-9-10-20-36(35)37;1-42-37-24-22-31(26-36(37)41-40(42)29-17-9-4-10-18-29)30-21-23-34-35(25-30)39(28-15-7-3-8-16-28)33-20-12-11-19-32(33)38(34)27-13-5-2-6-14-27/h1-28H;3-26H,1-2H3;1-25H;1-26H;2-26H,1H3
• InChIKey: LVPDJKMXXSOBHG-UHFFFAOYSA-N
• XLogP: 52.43
• TPSA: 203.21 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2862.49
LogP ≤ 5	52.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline?

The IUPAC name of 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline (CID 159469299) is 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline.

What is the SMILES notation for 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline?

The canonical SMILES for 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline is CC1(C)c2ccc(-c3ccc(-c4ccccc4)cn3)c3ccc4cc(-c5ccc(-c6ccccc6)cn5)c5cccc1c5c4c23.Cn1c(-c2ccccc2)nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc21.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)cc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1cncc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)nc2)c1.

What is the InChIKey of 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline?

The InChIKey is LVPDJKMXXSOBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4.C43H30N2.C41H25N5.C40H26N4.C40H28N2/c1-3-12-33(13-4-1)42-45-40(37-28-27-31-11-7-8-16-36(31)41(37)46-42)32-23-19-29(20-24-32)30-21-25-34(26-22-30)43-44-38-17-9-10-18-39(38)47(43)35-14-5-2-6-15-35;1-43(2)36-15-9-14-33-35(39-23-18-31(26-45-39)28-12-7-4-8-13-28)24-29-16-19-34-32(20-21-37(43)42(34)40(29)41(33)36)38-22-17-30(25-44-38)27-10-5-3-6-11-27;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;1-3-12-27(13-4-1)38-42-39(28-14-5-2-6-15-28)44-40(43-38)33-23-31(30-17-11-21-41-26-30)22-32(24-33)37-25-29-16-7-8-18-34(29)35-19-9-10-20-36(35)37;1-42-37-24-22-31(26-36(37)41-40(42)29-17-9-4-10-18-29)30-21-23-34-35(25-30)39(28-15-7-3-8-16-28)33-20-12-11-19-32(33)38(34)27-13-5-2-6-14-27/h1-28H;3-26H,1-2H3;1-25H;1-26H;2-26H,1H3.

What are the key properties of 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline?

2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline has a molecular weight of 2862.49 g/mol, XLogP of 52.43, 22 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[19,19-dimethyl-10-(5-phenyl-2-pyridinyl)-4-pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl]-5-phenylpyridine;2,4-di(phenanthren-9-yl)-6-(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazine;5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline is sourced from PubChem (CID 159469299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).