10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine

C48H34FN5 — CID 140954502

IUPAC10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine
SMILESCC1(C)c2ccc(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C48H34FN5/c1-48(2)38-23-20-31(44(49)30-19-21-33-34-14-6-8-16-40(34)52-27-26-51-47(52)37(33)28-30)29-42(38)54(43-18-10-11-25-50-43)46-39(48)24-22-36-35-15-7-9-17-41(35)53(45(36)46)32-12-4-3-5-13-32/h3-29,44H,1-2H3
InChIKeyBHJSXYHXEWJYEZ-UHFFFAOYSA-N
MW699.83 g/mol
LogP12.30
Rot. Bonds4

About 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine

10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine (PubChem CID 140954502) has the molecular formula C48H34FN5 and a molecular weight of 699.83 g/mol. Its IUPAC name is 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine.

Molecular Properties

Compound Name10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine
PubChem CID140954502
Molecular FormulaC48H34FN5
Molecular Weight699.83 g/mol
Exact Mass699.28
IUPAC Name10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine
SMILESCC1(C)c2ccc(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C48H34FN5/c1-48(2)38-23-20-31(44(49)30-19-21-33-34-14-6-8-16-40(34)52-27-26-51-47(52)37(33)28-30)29-42(38)54(43-18-10-11-25-50-43)46-39(48)24-22-36-35-15-7-9-17-41(35)53(45(36)46)32-12-4-3-5-13-32/h3-29,44H,1-2H3
InChIKeyBHJSXYHXEWJYEZ-UHFFFAOYSA-N
XLogP12.30
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.83
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 11633069
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Frequently Asked Questions

What is the IUPAC name of 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine?
The IUPAC name of 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine (CID 140954502) is 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine.
What is the SMILES notation for 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine?
The canonical SMILES for 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine is CC1(C)c2ccc(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21.
What is the InChIKey of 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine?
The InChIKey is BHJSXYHXEWJYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34FN5/c1-48(2)38-23-20-31(44(49)30-19-21-33-34-14-6-8-16-40(34)52-27-26-51-47(52)37(33)28-30)29-42(38)54(43-18-10-11-25-50-43)46-39(48)24-22-36-35-15-7-9-17-41(35)53(45(36)46)32-12-4-3-5-13-32/h3-29,44H,1-2H3.
What are the key properties of 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine?
10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine has a molecular weight of 699.83 g/mol, XLogP of 12.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine is sourced from PubChem (CID 140954502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).