18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene

C35H24FNO — CID 171734628

IUPAC18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene
SMILESCc1ccc2c(c1)C(C)(C)c1cc3c(ccc4c(-c5cccc6c5oc5ccccc56)nccc43)c(F)c1-2
InChIInChI=1S/C35H24FNO/c1-19-11-12-25-28(17-19)35(2,3)29-18-27-20-15-16-37-33(23(20)14-13-22(27)32(36)31(25)29)26-9-6-8-24-21-7-4-5-10-30(21)38-34(24)26/h4-18H,1-3H3
InChIKeyDIPSXCKJPQCHEJ-UHFFFAOYSA-N
MW493.58 g/mol
LogP9.71
Rot. Bonds1

About 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene

18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene (PubChem CID 171734628) has the molecular formula C35H24FNO and a molecular weight of 493.58 g/mol. Its IUPAC name is 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene.

Molecular Properties

Compound Name18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene
PubChem CID171734628
Molecular FormulaC35H24FNO
Molecular Weight493.58 g/mol
Exact Mass493.18
IUPAC Name18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene
SMILESCc1ccc2c(c1)C(C)(C)c1cc3c(ccc4c(-c5cccc6c5oc5ccccc56)nccc43)c(F)c1-2
InChIInChI=1S/C35H24FNO/c1-19-11-12-25-28(17-19)35(2,3)29-18-27-20-15-16-37-33(23(20)14-13-22(27)32(36)31(25)29)26-9-6-8-24-21-7-4-5-10-30(21)38-34(24)26/h4-18H,1-3H3
InChIKeyDIPSXCKJPQCHEJ-UHFFFAOYSA-N
XLogP9.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.58
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene with MolForge

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Related Compounds

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4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
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CID 163474399
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
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4-[3-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]dibenzofuran
CID 121444171
2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
CID 122627056
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3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
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Frequently Asked Questions

What is the IUPAC name of 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene?
The IUPAC name of 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene (CID 171734628) is 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene.
What is the SMILES notation for 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene?
The canonical SMILES for 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene is Cc1ccc2c(c1)C(C)(C)c1cc3c(ccc4c(-c5cccc6c5oc5ccccc56)nccc43)c(F)c1-2.
What is the InChIKey of 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene?
The InChIKey is DIPSXCKJPQCHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24FNO/c1-19-11-12-25-28(17-19)35(2,3)29-18-27-20-15-16-37-33(23(20)14-13-22(27)32(36)31(25)29)26-9-6-8-24-21-7-4-5-10-30(21)38-34(24)26/h4-18H,1-3H3.
What are the key properties of 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene?
18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene has a molecular weight of 493.58 g/mol, XLogP of 9.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-dibenzofuran-4-yl-2-fluoro-7,10,10-trimethyl-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaene is sourced from PubChem (CID 171734628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).