14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

C42H29FN4O — CID 162483046

IUPAC14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
SMILESCC1(C)c2cc3c(cc2N(c2cccc(C(F)c4ccc5c6ccccc6n6ccnc6c5c4)c2)c2ncccc21)oc1ccccc13
InChIInChI=1S/C42H29FN4O/c1-42(2)33-13-8-18-44-41(33)47(36-24-38-31(23-34(36)42)30-12-4-6-15-37(30)48-38)27-10-7-9-25(21-27)39(43)26-16-17-28-29-11-3-5-14-35(29)46-20-19-45-40(46)32(28)22-26/h3-24,39H,1-2H3
InChIKeyMOYYNRAWHAUCEL-UHFFFAOYSA-N
MW624.72 g/mol
LogP11.10
Rot. Bonds3

About 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (PubChem CID 162483046) has the molecular formula C42H29FN4O and a molecular weight of 624.72 g/mol. Its IUPAC name is 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
PubChem CID162483046
Molecular FormulaC42H29FN4O
Molecular Weight624.72 g/mol
Exact Mass624.23
IUPAC Name14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
SMILESCC1(C)c2cc3c(cc2N(c2cccc(C(F)c4ccc5c6ccccc6n6ccnc6c5c4)c2)c2ncccc21)oc1ccccc13
InChIInChI=1S/C42H29FN4O/c1-42(2)33-13-8-18-44-41(33)47(36-24-38-31(23-34(36)42)30-12-4-6-15-37(30)48-38)27-10-7-9-25(21-27)39(43)26-16-17-28-29-11-3-5-14-35(29)46-20-19-45-40(46)32(28)22-26/h3-24,39H,1-2H3
InChIKeyMOYYNRAWHAUCEL-UHFFFAOYSA-N
XLogP11.10
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.72
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene with MolForge

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Related Compounds

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CID 89435067
7-[[5-[4-amino-5-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
CID 156731623
3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 71699623
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CID 72190663
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6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
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CID 18993243
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CID 18993247
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CID 67880830

Frequently Asked Questions

What is the IUPAC name of 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The IUPAC name of 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (CID 162483046) is 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.
What is the SMILES notation for 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The canonical SMILES for 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is CC1(C)c2cc3c(cc2N(c2cccc(C(F)c4ccc5c6ccccc6n6ccnc6c5c4)c2)c2ncccc21)oc1ccccc13.
What is the InChIKey of 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The InChIKey is MOYYNRAWHAUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29FN4O/c1-42(2)33-13-8-18-44-41(33)47(36-24-38-31(23-34(36)42)30-12-4-6-15-37(30)48-38)27-10-7-9-25(21-27)39(43)26-16-17-28-29-11-3-5-14-35(29)46-20-19-45-40(46)32(28)22-26/h3-24,39H,1-2H3.
What are the key properties of 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene has a molecular weight of 624.72 g/mol, XLogP of 11.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-10-oxa-14,16-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 162483046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).