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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline

C154H102N12 — CID 161103608

About 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline

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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline (PubChem CID 161103608) has the molecular formula C154H102N12 and a molecular weight of 2120.59 g/mol. Its IUPAC name is 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline.

Molecular Properties

• Compound Name: 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline
• PubChem CID: 161103608
• Molecular Formula: C154H102N12
• Molecular Weight: 2120.59 g/mol
• Exact Mass: 2118.84
• IUPAC Name: 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline
• SMILES: CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc1c4c23.c1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc-3c24)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)nc4)nc(-c4cccc5ccccc45)n3)cc2)cc1.c1cncc(-c2ccc(-c3nc(-c4cccc5ccccc45)c4ccc5ccccc5c4n3)cc2)c1
• InChI: InChI=1S/C47H30N2.C38H27N3.C36H24N4.C33H21N3/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;1-38(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;1-3-10-25(11-4-1)26-18-20-29(21-19-26)34-38-35(30-22-23-33(37-24-30)28-13-5-2-6-14-28)40-36(39-34)32-17-9-15-27-12-7-8-16-31(27)32;1-3-11-27-23(7-1)9-5-13-29(27)32-30-19-18-24-8-2-4-12-28(24)31(30)35-33(36-32)25-16-14-22(15-17-25)26-10-6-20-34-21-26/h1-30H;3-23H,1-2H3;1-24H;1-21H
• InChIKey: UITKACTWMSCFPD-UHFFFAOYSA-N
• XLogP: 39.07
• TPSA: 146.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.59
LogP ≤ 5	39.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline?

The IUPAC name of 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline (CID 161103608) is 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline.

What is the SMILES notation for 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline?

The canonical SMILES for 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline is CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc1c4c23.c1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc-3c24)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)nc4)nc(-c4cccc5ccccc45)n3)cc2)cc1.c1cncc(-c2ccc(-c3nc(-c4cccc5ccccc45)c4ccc5ccccc5c4n3)cc2)c1.

What is the InChIKey of 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline?

The InChIKey is UITKACTWMSCFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2.C38H27N3.C36H24N4.C33H21N3/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;1-38(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;1-3-10-25(11-4-1)26-18-20-29(21-19-26)34-38-35(30-22-23-33(37-24-30)28-13-5-2-6-14-28)40-36(39-34)32-17-9-15-27-12-7-8-16-31(27)32;1-3-11-27-23(7-1)9-5-13-29(27)32-30-19-18-24-8-2-4-12-28(24)31(30)35-33(36-32)25-16-14-22(15-17-25)26-10-6-20-34-21-26/h1-30H;3-23H,1-2H3;1-24H;1-21H.

What are the key properties of 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline?

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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline has a molecular weight of 2120.59 g/mol, XLogP of 39.07, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline is sourced from PubChem (CID 161103608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).