2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene

C34H19N3 — CID 134604638

IUPAC2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
SMILESc1ccc2c(c1)-c1cccc3c(N4c5ccccc5-c5nccc6c5c4nc4ccccc46)ccc-2c13
InChIInChI=1S/C34H19N3/c1-2-9-21-20(8-1)23-12-7-13-26-30(17-16-24(21)31(23)26)37-29-15-6-4-11-27(29)33-32-25(18-19-35-33)22-10-3-5-14-28(22)36-34(32)37/h1-19H
InChIKeyREKFISDDOPCNDA-UHFFFAOYSA-N
MW469.55 g/mol
LogP9.03
Rot. Bonds1

About 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene

2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene (PubChem CID 134604638) has the molecular formula C34H19N3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene.

Molecular Properties

Compound Name2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
PubChem CID134604638
Molecular FormulaC34H19N3
Molecular Weight469.55 g/mol
Exact Mass469.16
IUPAC Name2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
SMILESc1ccc2c(c1)-c1cccc3c(N4c5ccccc5-c5nccc6c5c4nc4ccccc46)ccc-2c13
InChIInChI=1S/C34H19N3/c1-2-9-21-20(8-1)23-12-7-13-26-30(17-16-24(21)31(23)26)37-29-15-6-4-11-27(29)33-32-25(18-19-35-33)22-10-3-5-14-28(22)36-34(32)37/h1-19H
InChIKeyREKFISDDOPCNDA-UHFFFAOYSA-N
XLogP9.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene with MolForge

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Related Compounds

2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 142370240
2-[4-(4-carbazol-9-ylphenyl)phenyl]-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 134604653
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 134604644
N-(4-phenylphenyl)-N-[4-[4-(2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 142370260
4-(10-phenylphenazin-5-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 145413869
1,23-diazaoctacyclo[18.10.2.12,6.011,16.017,31.024,32.025,30.010,33]tritriaconta-2,4,6(33),7,9,11,13,15,17(31),18,20(32),21,23,25,27,29-hexadecaene
CID 170236372
6-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]-2-phenyl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 142370322
2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaene
CID 158524296
10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 23245300
14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 122435680
14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
CID 146390498
7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326402

Frequently Asked Questions

What is the IUPAC name of 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene?
The IUPAC name of 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene (CID 134604638) is 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene.
What is the SMILES notation for 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene?
The canonical SMILES for 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene is c1ccc2c(c1)-c1cccc3c(N4c5ccccc5-c5nccc6c5c4nc4ccccc46)ccc-2c13.
What is the InChIKey of 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene?
The InChIKey is REKFISDDOPCNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3/c1-2-9-21-20(8-1)23-12-7-13-26-30(17-16-24(21)31(23)26)37-29-15-6-4-11-27(29)33-32-25(18-19-35-33)22-10-3-5-14-28(22)36-34(32)37/h1-19H.
What are the key properties of 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene?
2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene has a molecular weight of 469.55 g/mol, XLogP of 9.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene is sourced from PubChem (CID 134604638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).