1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline

C50H46N2 — CID 91610645

About 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline

1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 91610645) has the molecular formula C50H46N2 and a molecular weight of 674.93 g/mol. Its IUPAC name is 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline
• PubChem CID: 91610645
• Molecular Formula: C50H46N2
• Molecular Weight: 674.93 g/mol
• Exact Mass: 674.37
• IUPAC Name: 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline
• SMILES: CC1C=CC2=C(C1)N(c1ccc3c(c1)C(C)(C)c1cc(C=Cc4ccc5c(ccc6cc(N7CCCc8ccccc87)ccc65)c4)ccc1-3)CCC2
• InChI: InChI=1S/C50H46N2/c1-33-12-17-37-10-7-27-52(49(37)28-33)41-21-25-45-44-23-16-35(30-46(44)50(2,3)47(45)32-41)14-13-34-15-22-42-38(29-34)18-19-39-31-40(20-24-43(39)42)51-26-6-9-36-8-4-5-11-48(36)51/h4-5,8,11-25,29-33H,6-7,9-10,26-28H2,1-3H3
• InChIKey: FQSDBWWVMALMSG-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.93
LogP ≤ 5	13.00
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 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline (CID 91610645) is 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline is CC1C=CC2=C(C1)N(c1ccc3c(c1)C(C)(C)c1cc(C=Cc4ccc5c(ccc6cc(N7CCCc8ccccc87)ccc65)c4)ccc1-3)CCC2.

What is the InChIKey of 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline?

The InChIKey is FQSDBWWVMALMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N2/c1-33-12-17-37-10-7-27-52(49(37)28-33)41-21-25-45-44-23-16-35(30-46(44)50(2,3)47(45)32-41)14-13-34-15-22-42-38(29-34)18-19-39-31-40(20-24-43(39)42)51-26-6-9-36-8-4-5-11-48(36)51/h4-5,8,11-25,29-33H,6-7,9-10,26-28H2,1-3H3.

What are the key properties of 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline?

1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 674.93 g/mol, XLogP of 13.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 91610645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).