5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole

C51H31FN2 — CID 88886662

IUPAC5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole
SMILESFc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)c2c3ccncc3n(-c3ccccc3)c12
InChIInChI=1S/C51H31FN2/c52-46-27-26-38(50-44-28-29-53-31-47(44)54(51(46)50)35-16-2-1-3-17-35)34-24-25-43-45(30-34)49(40-23-11-15-33-13-5-7-19-37(33)40)42-21-9-8-20-41(42)48(43)39-22-10-14-32-12-4-6-18-36(32)39/h1-31H
InChIKeyMOWPUMVQJZMSBB-UHFFFAOYSA-N
MW690.82 g/mol
LogP13.93
Rot. Bonds4

About 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole

5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole (PubChem CID 88886662) has the molecular formula C51H31FN2 and a molecular weight of 690.82 g/mol. Its IUPAC name is 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole.

Molecular Properties

Compound Name5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole
PubChem CID88886662
Molecular FormulaC51H31FN2
Molecular Weight690.82 g/mol
Exact Mass690.25
IUPAC Name5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole
SMILESFc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)c2c3ccncc3n(-c3ccccc3)c12
InChIInChI=1S/C51H31FN2/c52-46-27-26-38(50-44-28-29-53-31-47(44)54(51(46)50)35-16-2-1-3-17-35)34-24-25-43-45(30-34)49(40-23-11-15-33-13-5-7-19-37(33)40)42-21-9-8-20-41(42)48(43)39-22-10-14-32-12-4-6-18-36(32)39/h1-31H
InChIKeyMOWPUMVQJZMSBB-UHFFFAOYSA-N
XLogP13.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.82
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole?
The IUPAC name of 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole (CID 88886662) is 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole.
What is the SMILES notation for 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole?
The canonical SMILES for 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole is Fc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)c2c3ccncc3n(-c3ccccc3)c12.
What is the InChIKey of 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole?
The InChIKey is MOWPUMVQJZMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31FN2/c52-46-27-26-38(50-44-28-29-53-31-47(44)54(51(46)50)35-16-2-1-3-17-35)34-24-25-43-45(30-34)49(40-23-11-15-33-13-5-7-19-37(33)40)42-21-9-8-20-41(42)48(43)39-22-10-14-32-12-4-6-18-36(32)39/h1-31H.
What are the key properties of 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole?
5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole has a molecular weight of 690.82 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-fluoro-9-phenylpyrido[3,4-b]indole is sourced from PubChem (CID 88886662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).