10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine

C63H46N2 — CID 90962170

About 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine

10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine (PubChem CID 90962170) has the molecular formula C63H46N2 and a molecular weight of 831.07 g/mol. Its IUPAC name is 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine.

Molecular Properties

• Compound Name: 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine
• PubChem CID: 90962170
• Molecular Formula: C63H46N2
• Molecular Weight: 831.07 g/mol
• Exact Mass: 830.37
• IUPAC Name: 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine
• SMILES: C(=Cc1ccc2c(ccc3cc(N4c5ccccc5Cc5ccccc54)ccc32)c1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N3CCCc4ccccc43)ccc1-2
• InChI: InChI=1S/C63H46N2/c1-3-18-50(19-4-1)63(51-20-5-2-6-21-51)58-39-44(28-34-56(58)57-36-31-52(42-59(57)63)64-37-13-17-45-14-7-10-22-60(45)64)26-25-43-27-33-54-46(38-43)29-30-47-41-53(32-35-55(47)54)65-61-23-11-8-15-48(61)40-49-16-9-12-24-62(49)65/h1-12,14-16,18-36,38-39,41-42H,13,17,37,40H2
• InChIKey: RSEUGSPREIVPAN-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.07
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine?

The IUPAC name of 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine (CID 90962170) is 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine.

What is the SMILES notation for 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine?

The canonical SMILES for 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine is C(=Cc1ccc2c(ccc3cc(N4c5ccccc5Cc5ccccc54)ccc32)c1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N3CCCc4ccccc43)ccc1-2.

What is the InChIKey of 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine?

The InChIKey is RSEUGSPREIVPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-3-18-50(19-4-1)63(51-20-5-2-6-21-51)58-39-44(28-34-56(58)57-36-31-52(42-59(57)63)64-37-13-17-45-14-7-10-22-60(45)64)26-25-43-27-33-54-46(38-43)29-30-47-41-53(32-35-55(47)54)65-61-23-11-8-15-48(61)40-49-16-9-12-24-62(49)65/h1-12,14-16,18-36,38-39,41-42H,13,17,37,40H2.

What are the key properties of 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine?

10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine has a molecular weight of 831.07 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine is sourced from PubChem (CID 90962170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).