6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole

C59H45FN4 — CID 88886668

IUPAC6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole
SMILESCCCCCCc1cc(-c2cccnc2)cc(-n2c3ccc(-c4ccc(-c5cccc6c(-c7ccccc7)c7ccc(F)cc7c(-c7ccccc7)c56)nc4)cc3c3cccnc32)c1
InChIInChI=1S/C59H45FN4/c1-2-3-4-7-15-39-32-45(43-20-13-30-61-37-43)34-47(33-39)64-55-29-25-42(35-52(55)49-23-14-31-62-59(49)64)44-24-28-54(63-38-44)50-21-12-22-51-56(40-16-8-5-9-17-40)48-27-26-46(60)36-53(48)57(58(50)51)41-18-10-6-11-19-41/h5-6,8-14,16-38H,2-4,7,15H2,1H3
InChIKeyJKWBRRWCESWOPK-UHFFFAOYSA-N
MW829.04 g/mol
LogP15.87
Rot. Bonds11

About 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole

6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole (PubChem CID 88886668) has the molecular formula C59H45FN4 and a molecular weight of 829.04 g/mol. Its IUPAC name is 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole
PubChem CID88886668
Molecular FormulaC59H45FN4
Molecular Weight829.04 g/mol
Exact Mass828.36
IUPAC Name6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole
SMILESCCCCCCc1cc(-c2cccnc2)cc(-n2c3ccc(-c4ccc(-c5cccc6c(-c7ccccc7)c7ccc(F)cc7c(-c7ccccc7)c56)nc4)cc3c3cccnc32)c1
InChIInChI=1S/C59H45FN4/c1-2-3-4-7-15-39-32-45(43-20-13-30-61-37-43)34-47(33-39)64-55-29-25-42(35-52(55)49-23-14-31-62-59(49)64)44-24-28-54(63-38-44)50-21-12-22-51-56(40-16-8-5-9-17-40)48-27-26-46(60)36-53(48)57(58(50)51)41-18-10-6-11-19-41/h5-6,8-14,16-38H,2-4,7,15H2,1H3
InChIKeyJKWBRRWCESWOPK-UHFFFAOYSA-N
XLogP15.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.04
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole?
The IUPAC name of 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole (CID 88886668) is 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole is CCCCCCc1cc(-c2cccnc2)cc(-n2c3ccc(-c4ccc(-c5cccc6c(-c7ccccc7)c7ccc(F)cc7c(-c7ccccc7)c56)nc4)cc3c3cccnc32)c1.
What is the InChIKey of 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole?
The InChIKey is JKWBRRWCESWOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45FN4/c1-2-3-4-7-15-39-32-45(43-20-13-30-61-37-43)34-47(33-39)64-55-29-25-42(35-52(55)49-23-14-31-62-59(49)64)44-24-28-54(63-38-44)50-21-12-22-51-56(40-16-8-5-9-17-40)48-27-26-46(60)36-53(48)57(58(50)51)41-18-10-6-11-19-41/h5-6,8-14,16-38H,2-4,7,15H2,1H3.
What are the key properties of 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole?
6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole has a molecular weight of 829.04 g/mol, XLogP of 15.87, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(7-fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 88886668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).