N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine

C46H28F2N2O — CID 121474118

IUPACN,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine
SMILESFc1ccccc1N(c1ccc2c(c1)oc1cc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)ccc12)c1ccccc1F
InChIInChI=1S/C46H28F2N2O/c47-37-12-4-6-14-39(37)50(40-15-7-5-13-38(40)48)34-22-24-36-35-23-19-29(27-43(35)51-44(36)28-34)17-18-30-25-32-21-20-31-9-8-16-41-45(31)46(32)42(26-30)49(41)33-10-2-1-3-11-33/h1-28H/b18-17+
InChIKeyORNFGNASSZKQHI-ISLYRVAYSA-N
MW662.74 g/mol
LogP13.19
Rot. Bonds6

About N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine

N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine (PubChem CID 121474118) has the molecular formula C46H28F2N2O and a molecular weight of 662.74 g/mol. Its IUPAC name is N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine
PubChem CID121474118
Molecular FormulaC46H28F2N2O
Molecular Weight662.74 g/mol
Exact Mass662.22
IUPAC NameN,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine
SMILESFc1ccccc1N(c1ccc2c(c1)oc1cc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)ccc12)c1ccccc1F
InChIInChI=1S/C46H28F2N2O/c47-37-12-4-6-14-39(37)50(40-15-7-5-13-38(40)48)34-22-24-36-35-23-19-29(27-43(35)51-44(36)28-34)17-18-30-25-32-21-20-31-9-8-16-41-45(31)46(32)42(26-30)49(41)33-10-2-1-3-11-33/h1-28H/b18-17+
InChIKeyORNFGNASSZKQHI-ISLYRVAYSA-N
XLogP13.19
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.74
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine?
The IUPAC name of N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine (CID 121474118) is N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine.
What is the SMILES notation for N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine?
The canonical SMILES for N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine is Fc1ccccc1N(c1ccc2c(c1)oc1cc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)ccc12)c1ccccc1F.
What is the InChIKey of N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine?
The InChIKey is ORNFGNASSZKQHI-ISLYRVAYSA-N. The full InChI is InChI=1S/C46H28F2N2O/c47-37-12-4-6-14-39(37)50(40-15-7-5-13-38(40)48)34-22-24-36-35-23-19-29(27-43(35)51-44(36)28-34)17-18-30-25-32-21-20-31-9-8-16-41-45(31)46(32)42(26-30)49(41)33-10-2-1-3-11-33/h1-28H/b18-17+.
What are the key properties of N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine?
N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine has a molecular weight of 662.74 g/mol, XLogP of 13.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-fluorophenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine is sourced from PubChem (CID 121474118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).