2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine)

C148H88N8 — CID 159423478

About 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine)

2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine) (PubChem CID 159423478) has the molecular formula C148H88N8 and a molecular weight of 1978.39 g/mol. Its IUPAC name is 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine).

Molecular Properties

• Compound Name: 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine)
• PubChem CID: 159423478
• Molecular Formula: C148H88N8
• Molecular Weight: 1978.39 g/mol
• Exact Mass: 1976.71
• IUPAC Name: 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine)
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cc6ccccc6c35)-c3ccc5ccccc5c3-4)n2)cc1.c1ccc2c3c4c(cccc4cc2c1)-c1ccc(-c2ccc(-c4ccncn4)cc2)cc1-3.c1ccc2c3c4c(cccc4cc2c1)-c1ccc(-c2ccc(-c4ccncn4)cc2)cc1-3.c1ccc2cc(-c3ccc4cc(-c5cncc(-c6ccc7c8c(cc9ccccc9c68)-c6ccc8ccccc8c6-7)c5)ccc4c3)ccc2c1
• InChI: InChI=1S/C49H29N.C39H23N3.2C30H18N2/c1-2-9-32-23-33(14-13-30(32)7-1)34-15-16-36-25-37(18-17-35(36)24-34)39-26-40(29-50-28-39)43-21-22-45-47-41-11-5-3-8-31(41)19-20-44(47)46-27-38-10-4-6-12-42(38)48(43)49(45)46;1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)32-22-21-31-34-28-17-9-7-11-24(28)19-20-30(34)33-23-27-16-8-10-18-29(27)35(32)36(31)33;2*1-2-6-24-22(4-1)16-23-5-3-7-26-25-13-12-21(17-27(25)30(24)29(23)26)19-8-10-20(11-9-19)28-14-15-31-18-32-28/h1-29H;1-23H;2*1-18H
• InChIKey: LQBBSAFXAKPSND-UHFFFAOYSA-N
• XLogP: 39.00
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1978.39
LogP ≤ 5	39.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine)?

The IUPAC name of 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine) (CID 159423478) is 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine).

What is the SMILES notation for 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine)?

The canonical SMILES for 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine) is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cc6ccccc6c35)-c3ccc5ccccc5c3-4)n2)cc1.c1ccc2c3c4c(cccc4cc2c1)-c1ccc(-c2ccc(-c4ccncn4)cc2)cc1-3.c1ccc2c3c4c(cccc4cc2c1)-c1ccc(-c2ccc(-c4ccncn4)cc2)cc1-3.c1ccc2cc(-c3ccc4cc(-c5cncc(-c6ccc7c8c(cc9ccccc9c68)-c6ccc8ccccc8c6-7)c5)ccc4c3)ccc2c1.

What is the InChIKey of 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine)?

The InChIKey is LQBBSAFXAKPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N.C39H23N3.2C30H18N2/c1-2-9-32-23-33(14-13-30(32)7-1)34-15-16-36-25-37(18-17-35(36)24-34)39-26-40(29-50-28-39)43-21-22-45-47-41-11-5-3-8-31(41)19-20-44(47)46-27-38-10-4-6-12-42(38)48(43)49(45)46;1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)32-22-21-31-34-28-17-9-7-11-24(28)19-20-30(34)33-23-27-16-8-10-18-29(27)35(32)36(31)33;2*1-2-6-24-22(4-1)16-23-5-3-7-26-25-13-12-21(17-27(25)30(24)29(23)26)19-8-10-20(11-9-19)28-14-15-31-18-32-28/h1-29H;1-23H;2*1-18H.

What are the key properties of 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine)?

2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine) has a molecular weight of 1978.39 g/mol, XLogP of 39.00, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-diphenyl-1,3,5-triazine;3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)pyridine;bis(4-[4-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)phenyl]pyrimidine) is sourced from PubChem (CID 159423478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).