2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

C90H54N8 — CID 167089007

About 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 167089007) has the molecular formula C90H54N8 and a molecular weight of 1247.48 g/mol. Its IUPAC name is 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 167089007
• Molecular Formula: C90H54N8
• Molecular Weight: 1247.48 g/mol
• Exact Mass: 1246.45
• IUPAC Name: 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9ccc(-c%10cncc(-c%11ccc%12c(ccc%13ccc(-c%14ccc(-c%15ccc%16ccc(-c%17ccc%18ccc(-c%19ccncc%19)nc%18c%17)cc%16n%15)cc%14)cc%13%12)c%11)c%10)nc9c8)cc7n6)cc5)nc4c3n2)cc1
• InChI: InChI=1S/C90H54N8/c1-2-4-57(5-3-1)82-40-33-66-20-21-67-34-41-83(98-90(67)89(66)97-82)60-14-12-59(13-15-60)80-37-30-62-17-24-71(50-86(62)94-80)73-26-19-64-32-39-84(96-88(64)52-73)76-47-75(53-92-54-76)68-28-35-77-74(46-68)27-9-56-8-22-69(48-78(56)77)55-6-10-58(11-7-55)79-36-29-61-16-23-70(49-85(61)93-79)72-25-18-63-31-38-81(95-87(63)51-72)65-42-44-91-45-43-65/h1-54H
• InChIKey: GFXSOCLTOPUSEH-UHFFFAOYSA-N
• XLogP: 22.74
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1247.48
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 167089007) is 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9ccc(-c%10cncc(-c%11ccc%12c(ccc%13ccc(-c%14ccc(-c%15ccc%16ccc(-c%17ccc%18ccc(-c%19ccncc%19)nc%18c%17)cc%16n%15)cc%14)cc%13%12)c%11)c%10)nc9c8)cc7n6)cc5)nc4c3n2)cc1.

What is the InChIKey of 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is GFXSOCLTOPUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N8/c1-2-4-57(5-3-1)82-40-33-66-20-21-67-34-41-83(98-90(67)89(66)97-82)60-14-12-59(13-15-60)80-37-30-62-17-24-71(50-86(62)94-80)73-26-19-64-32-39-84(96-88(64)52-73)76-47-75(53-92-54-76)68-28-35-77-74(46-68)27-9-56-8-22-69(48-78(56)77)55-6-10-58(11-7-55)79-36-29-61-16-23-70(49-85(61)93-79)72-25-18-63-31-38-81(95-87(63)51-72)65-42-44-91-45-43-65/h1-54H.

What are the key properties of 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1247.48 g/mol, XLogP of 22.74, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-9-[4-[7-[2-[5-[6-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]phenanthren-2-yl]-3-pyridinyl]quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 167089007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).