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

C45H28FN5 — CID 140952311

IUPAC10-[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
SMILESFC(c1cccc(-n2c3cc4c(cc3c3cccnc32)c2ccccc2n4-c2ccccc2)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C45H28FN5/c46-43(29-19-20-32-33-14-4-6-17-39(33)49-23-22-48-44(49)38(32)25-29)28-10-8-13-31(24-28)51-42-27-41-36(26-37(42)35-16-9-21-47-45(35)51)34-15-5-7-18-40(34)50(41)30-11-2-1-3-12-30/h1-27,43H
InChIKeyOTWFROPXGAVEQE-UHFFFAOYSA-N
MW657.75 g/mol
LogP11.29
Rot. Bonds4

About 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

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 (PubChem CID 140952311) has the molecular formula C45H28FN5 and a molecular weight of 657.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID140952311
Molecular FormulaC45H28FN5
Molecular Weight657.75 g/mol
Exact Mass657.23
IUPAC Name10-[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
SMILESFC(c1cccc(-n2c3cc4c(cc3c3cccnc32)c2ccccc2n4-c2ccccc2)c1)c1ccc2c3ccccc3n3ccnc3c2c1
InChIInChI=1S/C45H28FN5/c46-43(29-19-20-32-33-14-4-6-17-39(33)49-23-22-48-44(49)38(32)25-29)28-10-8-13-31(24-28)51-42-27-41-36(26-37(42)35-16-9-21-47-45(35)51)34-15-5-7-18-40(34)50(41)30-11-2-1-3-12-30/h1-27,43H
InChIKeyOTWFROPXGAVEQE-UHFFFAOYSA-N
XLogP11.29
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.75
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
3-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-20-oxa-3,5-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 140955929
9-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140952045
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
3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole
CID 140951548
22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene
CID 163431296
3-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-20-phenyl-3,5,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 140953274
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
CID 140954604
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane
CID 140952139
9-phenylpyrido[2,3-b]indole
CID 15939260
16-(2-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680827

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(c1cccc(-n2c3cc4c(cc3c3cccnc32)c2ccccc2n4-c2ccccc2)c1)c1ccc2c3ccccc3n3ccnc3c2c1.
What is the InChIKey of 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?
The InChIKey is OTWFROPXGAVEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28FN5/c46-43(29-19-20-32-33-14-4-6-17-39(33)49-23-22-48-44(49)38(32)25-29)28-10-8-13-31(24-28)51-42-27-41-36(26-37(42)35-16-9-21-47-45(35)51)34-15-5-7-18-40(34)50(41)30-11-2-1-3-12-30/h1-27,43H.
What are the key properties of 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?
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 has a molecular weight of 657.75 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140952311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).