1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline

C62H52N2 — CID 59220942

About 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 59220942) has the molecular formula C62H52N2 and a molecular weight of 825.11 g/mol. Its IUPAC name is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
• PubChem CID: 59220942
• Molecular Formula: C62H52N2
• Molecular Weight: 825.11 g/mol
• Exact Mass: 824.41
• IUPAC Name: 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
• SMILES: CC1(C)c2ccccc2-c2c(-c3c4ccc(N5CCCc6ccccc65)cc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4ccc(N5CCCc6ccccc65)cc34)cccc21
• InChI: InChI=1S/C62H52N2/c1-61(2)51-25-9-7-21-45(51)59-47(23-13-27-53(59)61)57-43-33-31-42(64-36-16-20-40-18-6-12-30-56(40)64)38-50(43)58(48-24-14-28-54-60(48)46-22-8-10-26-52(46)62(54,3)4)44-34-32-41(37-49(44)57)63-35-15-19-39-17-5-11-29-55(39)63/h5-14,17-18,21-34,37-38H,15-16,19-20,35-36H2,1-4H3
• InChIKey: ULMSHMCGBPAHQT-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.11
LogP ≤ 5	16.11
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 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (CID 59220942) is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is CC1(C)c2ccccc2-c2c(-c3c4ccc(N5CCCc6ccccc65)cc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4ccc(N5CCCc6ccccc65)cc34)cccc21.

What is the InChIKey of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

The InChIKey is ULMSHMCGBPAHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2/c1-61(2)51-25-9-7-21-45(51)59-47(23-13-27-53(59)61)57-43-33-31-42(64-36-16-20-40-18-6-12-30-56(40)64)38-50(43)58(48-24-14-28-54-60(48)46-22-8-10-26-52(46)62(54,3)4)44-34-32-41(37-49(44)57)63-35-15-19-39-17-5-11-29-55(39)63/h5-14,17-18,21-34,37-38H,15-16,19-20,35-36H2,1-4H3.

What are the key properties of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 825.11 g/mol, XLogP of 16.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 59220942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).