2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine

C43H30N2 — CID 118965159

About 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine

2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine (PubChem CID 118965159) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine
• PubChem CID: 118965159
• Molecular Formula: C43H30N2
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.24
• IUPAC Name: 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine
• SMILES: CC1(C)c2ccc(-c3cccnc3)cc2-c2cccc3c(-c4ccc(-c5ccccn5)c5ccccc45)c4ccccc4c1c23
• InChI: InChI=1S/C43H30N2/c1-43(2)38-22-19-27(28-11-10-23-44-26-28)25-37(38)33-16-9-17-36-40(32-14-5-6-15-35(32)42(43)41(33)36)34-21-20-31(39-18-7-8-24-45-39)29-12-3-4-13-30(29)34/h3-26H,1-2H3
• InChIKey: OBOQRKZAXVVJNU-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine?

The IUPAC name of 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine (CID 118965159) is 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine.

What is the SMILES notation for 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine?

The canonical SMILES for 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine is CC1(C)c2ccc(-c3cccnc3)cc2-c2cccc3c(-c4ccc(-c5ccccn5)c5ccccc45)c4ccccc4c1c23.

What is the InChIKey of 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine?

The InChIKey is OBOQRKZAXVVJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-43(2)38-22-19-27(28-11-10-23-44-26-28)25-37(38)33-16-9-17-36-40(32-14-5-6-15-35(32)42(43)41(33)36)34-21-20-31(39-18-7-8-24-45-39)29-12-3-4-13-30(29)34/h3-26H,1-2H3.

What are the key properties of 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine?

2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine has a molecular weight of 574.73 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(20,20-dimethyl-16-pyridin-3-yl-8-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaenyl)naphthalen-1-yl]pyridine is sourced from PubChem (CID 118965159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).