5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine

C71H55N3 — CID 143984086

About 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine

5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine (PubChem CID 143984086) has the molecular formula C71H55N3 and a molecular weight of 950.24 g/mol. Its IUPAC name is 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine.

Molecular Properties

• Compound Name: 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine
• PubChem CID: 143984086
• Molecular Formula: C71H55N3
• Molecular Weight: 950.24 g/mol
• Exact Mass: 949.44
• IUPAC Name: 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine
• SMILES: CCC1(C)c2cc(/C=C/c3ccc(-c4c5ccccc5c(-c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)cc5)c5ccccc45)cc3)ccc2-c2ccc(N3CCCc4ccccc43)cc21
• InChI: InChI=1S/C71H55N3/c1-3-71(2)62-46-49(35-43-56(62)57-44-42-55(47-63(57)71)72-45-17-19-50-18-7-12-26-64(50)72)32-31-48-33-36-51(37-34-48)69-58-22-8-10-24-60(58)70(61-25-11-9-23-59(61)69)52-38-40-54(41-39-52)74-67-29-15-13-27-65(67)73(53-20-5-4-6-21-53)66-28-14-16-30-68(66)74/h4-16,18,20-44,46-47H,3,17,19,45H2,1-2H3/b32-31+
• InChIKey: JXZHXFVVHQJQSQ-QNEJGDQOSA-N
• XLogP: 19.53
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.24
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine?

The IUPAC name of 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine (CID 143984086) is 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine.

What is the SMILES notation for 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine?

The canonical SMILES for 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine is CCC1(C)c2cc(/C=C/c3ccc(-c4c5ccccc5c(-c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)cc5)c5ccccc45)cc3)ccc2-c2ccc(N3CCCc4ccccc43)cc21.

What is the InChIKey of 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine?

The InChIKey is JXZHXFVVHQJQSQ-QNEJGDQOSA-N. The full InChI is InChI=1S/C71H55N3/c1-3-71(2)62-46-49(35-43-56(62)57-44-42-55(47-63(57)71)72-45-17-19-50-18-7-12-26-64(50)72)32-31-48-33-36-51(37-34-48)69-58-22-8-10-24-60(58)70(61-25-11-9-23-59(61)69)52-38-40-54(41-39-52)74-67-29-15-13-27-65(67)73(53-20-5-4-6-21-53)66-28-14-16-30-68(66)74/h4-16,18,20-44,46-47H,3,17,19,45H2,1-2H3/b32-31+.

What are the key properties of 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine?

5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine has a molecular weight of 950.24 g/mol, XLogP of 19.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine is sourced from PubChem (CID 143984086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).