7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

C42H29FN4O — CID 140953098

IUPAC7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2Oc2cc3c(cc21)c1ccc(C(F)c2ccc4c5ccccc5n5ccnc5c4c2)cc1n3-c1ccccn1
InChIInChI=1S/C42H29FN4O/c1-42(2)32-10-4-6-12-37(32)48-38-24-36-30(23-33(38)42)29-17-15-26(22-35(29)47(36)39-13-7-8-18-44-39)40(43)25-14-16-27-28-9-3-5-11-34(28)46-20-19-45-41(46)31(27)21-25/h3-24,40H,1-2H3
InChIKeyCVIJLPJIGBHPHU-UHFFFAOYSA-N
MW624.72 g/mol
LogP10.62
Rot. Bonds3

About 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (PubChem CID 140953098) has the molecular formula C42H29FN4O and a molecular weight of 624.72 g/mol. Its IUPAC name is 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
PubChem CID140953098
Molecular FormulaC42H29FN4O
Molecular Weight624.72 g/mol
Exact Mass624.23
IUPAC Name7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2Oc2cc3c(cc21)c1ccc(C(F)c2ccc4c5ccccc5n5ccnc5c4c2)cc1n3-c1ccccn1
InChIInChI=1S/C42H29FN4O/c1-42(2)32-10-4-6-12-37(32)48-38-24-36-30(23-33(38)42)29-17-15-26(22-35(29)47(36)39-13-7-8-18-44-39)40(43)25-14-16-27-28-9-3-5-11-34(28)46-20-19-45-41(46)31(27)21-25/h3-24,40H,1-2H3
InChIKeyCVIJLPJIGBHPHU-UHFFFAOYSA-N
XLogP10.62
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.72
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
CID 140954604
3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
CID 140954308
3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole
CID 140951548
6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylthiochromeno[2,3-c]carbazole
CID 140954677
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-10-pyridin-2-yl-14-thia-10-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953996
6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-[1]benzofuro[3,2-a]acridine
CID 140955640
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
CID 140954675
9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-dimethyl-21-thia-7,9-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140952794
10-[3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140952111
10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole
CID 140955324
10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14-phenyl-8,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 140952311
20-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 140954187

Frequently Asked Questions

What is the IUPAC name of 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The IUPAC name of 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 140953098) is 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.
What is the SMILES notation for 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The canonical SMILES for 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2Oc2cc3c(cc21)c1ccc(C(F)c2ccc4c5ccccc5n5ccnc5c4c2)cc1n3-c1ccccn1.
What is the InChIKey of 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The InChIKey is CVIJLPJIGBHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29FN4O/c1-42(2)32-10-4-6-12-37(32)48-38-24-36-30(23-33(38)42)29-17-15-26(22-35(29)47(36)39-13-7-8-18-44-39)40(43)25-14-16-27-28-9-3-5-11-34(28)46-20-19-45-41(46)31(27)21-25/h3-24,40H,1-2H3.
What are the key properties of 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene has a molecular weight of 624.72 g/mol, XLogP of 10.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is sourced from PubChem (CID 140953098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).