13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole

C48H34FN5 — CID 140951642

IUPAC13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole
SMILESCC1(C)c2cccnc2N(c2cccc(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)c2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C48H34FN5/c1-48(2)39-24-23-37-36-17-7-9-20-42(36)53(32-13-4-3-5-14-32)44(37)45(39)54(47-40(48)18-11-25-50-47)33-15-10-12-30(28-33)43(49)31-21-22-34-35-16-6-8-19-41(35)52-27-26-51-46(52)38(34)29-31/h3-29,43H,1-2H3
InChIKeyNMMIYLMAUHXMAC-UHFFFAOYSA-N
MW699.83 g/mol
LogP12.30
Rot. Bonds4

About 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole

13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole (PubChem CID 140951642) has the molecular formula C48H34FN5 and a molecular weight of 699.83 g/mol. Its IUPAC name is 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole.

Molecular Properties

Compound Name13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole
PubChem CID140951642
Molecular FormulaC48H34FN5
Molecular Weight699.83 g/mol
Exact Mass699.28
IUPAC Name13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole
SMILESCC1(C)c2cccnc2N(c2cccc(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)c2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C48H34FN5/c1-48(2)39-24-23-37-36-17-7-9-20-42(36)53(32-13-4-3-5-14-32)44(37)45(39)54(47-40(48)18-11-25-50-47)33-15-10-12-30(28-33)43(49)31-21-22-34-35-16-6-8-19-41(35)52-27-26-51-46(52)38(34)29-31/h3-29,43H,1-2H3
InChIKeyNMMIYLMAUHXMAC-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 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole?
The IUPAC name of 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole (CID 140951642) is 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole.
What is the SMILES notation for 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole?
The canonical SMILES for 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole is CC1(C)c2cccnc2N(c2cccc(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)c2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21.
What is the InChIKey of 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole?
The InChIKey is NMMIYLMAUHXMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34FN5/c1-48(2)39-24-23-37-36-17-7-9-20-42(36)53(32-13-4-3-5-14-32)44(37)45(39)54(47-40(48)18-11-25-50-47)33-15-10-12-30(28-33)43(49)31-21-22-34-35-16-6-8-19-41(35)52-27-26-51-46(52)38(34)29-31/h3-29,43H,1-2H3.
What are the key properties of 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole?
13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole 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 13-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole is sourced from PubChem (CID 140951642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).