6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]

C121H75N9 — CID 163858772

About 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]

6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] (PubChem CID 163858772) has the molecular formula C121H75N9 and a molecular weight of 1654.99 g/mol. Its IUPAC name is 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine].

Molecular Properties

• Compound Name: 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]
• PubChem CID: 163858772
• Molecular Formula: C121H75N9
• Molecular Weight: 1654.99 g/mol
• Exact Mass: 1653.61
• IUPAC Name: 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccccc7)c7cc8c(cc7c6c5)C5(c6ccccc6-c6ccccc65)c5ccccc5N8c5ccccc5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3N6c3ccccc3)n2)cc1
• InChI: InChI=1S/C62H38N4.C59H37N5/c1-4-16-39(17-5-1)54-33-30-41-28-29-42-31-34-55(64-61(42)60(41)63-54)43-32-35-56-48(36-43)47-37-53-58(38-49(47)59(65-56)40-18-6-2-7-19-40)66(44-20-8-3-9-21-44)57-27-15-14-26-52(57)62(53)50-24-12-10-22-45(50)46-23-11-13-25-51(46)62;1-5-19-38(20-6-1)55-47-37-54-51(59(48-29-15-13-27-43(48)44-28-14-16-30-49(44)59)50-31-17-18-32-53(50)64(54)42-25-11-4-12-26-42)36-45(47)46-35-41(33-34-52(46)60-55)58-62-56(39-21-7-2-8-22-39)61-57(63-58)40-23-9-3-10-24-40/h1-38H;1-37H
• InChIKey: PARMFHOKVBXUPQ-UHFFFAOYSA-N
• XLogP: 30.02
• TPSA: 96.71 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1654.99
LogP ≤ 5	30.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?

The IUPAC name of 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] (CID 163858772) is 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine].

What is the SMILES notation for 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?

The canonical SMILES for 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] is c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccccc7)c7cc8c(cc7c6c5)C5(c6ccccc6-c6ccccc65)c5ccccc5N8c5ccccc5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3N6c3ccccc3)n2)cc1.

What is the InChIKey of 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?

The InChIKey is PARMFHOKVBXUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4.C59H37N5/c1-4-16-39(17-5-1)54-33-30-41-28-29-42-31-34-55(64-61(42)60(41)63-54)43-32-35-56-48(36-43)47-37-53-58(38-49(47)59(65-56)40-18-6-2-7-19-40)66(44-20-8-3-9-21-44)57-27-15-14-26-52(57)62(53)50-24-12-10-22-45(50)46-23-11-13-25-51(46)62;1-5-19-38(20-6-1)55-47-37-54-51(59(48-29-15-13-27-43(48)44-28-14-16-30-49(44)59)50-31-17-18-32-53(50)64(54)42-25-11-4-12-26-42)36-45(47)46-35-41(33-34-52(46)60-55)58-62-56(39-21-7-2-8-22-39)61-57(63-58)40-23-9-3-10-24-40/h1-38H;1-37H.

What are the key properties of 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?

6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] has a molecular weight of 1654.99 g/mol, XLogP of 30.02, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6',8'-diphenyl-2'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] is sourced from PubChem (CID 163858772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).