6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine

C205H125N5 — CID 161161977

About 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine

6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine (PubChem CID 161161977) has the molecular formula C205H125N5 and a molecular weight of 2658.29 g/mol. Its IUPAC name is 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine.

Molecular Properties

• Compound Name: 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine
• PubChem CID: 161161977
• Molecular Formula: C205H125N5
• Molecular Weight: 2658.29 g/mol
• Exact Mass: 2655.99
• IUPAC Name: 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine
• SMILES: c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4c5ccccc5c5cnccc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4c5ccccc5c5ncccc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc4c5ccccc5c5ccncc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc4c5ccccc5c5cnccc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc4c5ccccc5c5ncccc5c4c3)c1-c1ccccc1-2
• InChI: InChI=1S/5C41H25N/c1-2-11-29-28(10-1)30-12-3-5-14-33(30)38-19-9-18-27(41(38)37-17-8-7-15-32(29)37)26-20-21-35-31-13-4-6-16-34(31)40-25-42-23-22-36(40)39(35)24-26;1-2-12-29-28(11-1)30-13-3-4-14-32(30)36-20-9-19-27(40(36)35-17-7-5-15-31(29)35)26-22-23-34-33-16-6-8-18-37(33)41-38(39(34)25-26)21-10-24-42-41;1-2-10-29-28(9-1)30-11-3-4-13-32(30)36-19-17-26(23-39(36)34-15-7-5-12-31(29)34)27-18-20-37-33-14-6-8-16-35(33)41-25-42-22-21-38(41)40(37)24-27;1-2-11-29-28(10-1)30-12-5-6-15-34(30)38-19-9-18-27(41(38)37-17-8-7-16-33(29)37)26-20-21-35-31-13-3-4-14-32(31)36-22-23-42-25-40(36)39(35)24-26;1-2-11-29-28(10-1)30-12-3-4-14-32(30)35-21-19-26(24-39(35)34-16-6-5-13-31(29)34)27-20-22-36-33-15-7-8-17-37(33)41-38(40(36)25-27)18-9-23-42-41/h5*1-25H/b30-28-,32-29-,38-33-,41-37-;30-28-,31-29-,36-32-,40-35-;30-28-,31-29-,36-32-,39-34-;30-28-,33-29-,38-34-,41-37-;30-28-,31-29-,35-32-,39-34-
• InChIKey: UQAPBKUNBCRVQF-ARUUWVAZSA-N
• XLogP: 55.95
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2658.29
LogP ≤ 5	55.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine?

The IUPAC name of 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine (CID 161161977) is 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine.

What is the SMILES notation for 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine?

The canonical SMILES for 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine is c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4c5ccccc5c5cnccc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4c5ccccc5c5ncccc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc4c5ccccc5c5ccncc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc4c5ccccc5c5cnccc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cccc(-c3ccc4c5ccccc5c5ncccc5c4c3)c1-c1ccccc1-2.

What is the InChIKey of 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine?

The InChIKey is UQAPBKUNBCRVQF-ARUUWVAZSA-N. The full InChI is InChI=1S/5C41H25N/c1-2-11-29-28(10-1)30-12-3-5-14-33(30)38-19-9-18-27(41(38)37-17-8-7-15-32(29)37)26-20-21-35-31-13-4-6-16-34(31)40-25-42-23-22-36(40)39(35)24-26;1-2-12-29-28(11-1)30-13-3-4-14-32(30)36-20-9-19-27(40(36)35-17-7-5-15-31(29)35)26-22-23-34-33-16-6-8-18-37(33)41-38(39(34)25-26)21-10-24-42-41;1-2-10-29-28(9-1)30-11-3-4-13-32(30)36-19-17-26(23-39(36)34-15-7-5-12-31(29)34)27-18-20-37-33-14-6-8-16-35(33)41-25-42-22-21-38(41)40(37)24-27;1-2-11-29-28(10-1)30-12-5-6-15-34(30)38-19-9-18-27(41(38)37-17-8-7-16-33(29)37)26-20-21-35-31-13-3-4-14-32(31)36-22-23-42-25-40(36)39(35)24-26;1-2-11-29-28(10-1)30-12-3-4-14-32(30)35-21-19-26(24-39(35)34-16-6-5-13-31(29)34)27-20-22-36-33-15-7-8-17-37(33)41-38(40(36)25-27)18-9-23-42-41/h5*1-25H/b30-28-,32-29-,38-33-,41-37-;30-28-,31-29-,36-32-,40-35-;30-28-,31-29-,36-32-,39-34-;30-28-,33-29-,38-34-,41-37-;30-28-,31-29-,35-32-,39-34-.

What are the key properties of 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine?

6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine has a molecular weight of 2658.29 g/mol, XLogP of 55.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tetraphenylen-1-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-b]pyridine;6-tetraphenylen-1-ylphenanthro[9,10-c]pyridine;6-tetraphenylen-2-ylphenanthro[9,10-c]pyridine;11-tetraphenylen-1-ylphenanthro[9,10-c]pyridine is sourced from PubChem (CID 161161977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).