N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine

C49H28F2N2O — CID 90270253

IUPACN,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine
SMILESFc1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-n3c4ccccc4c4c5oc6ccccc6c5cc2c43)cc1
InChIInChI=1S/C49H28F2N2O/c50-29-17-21-31(22-18-29)52(32-23-19-30(51)20-24-32)33-25-26-40-37(27-33)34-9-1-4-12-39(34)49(40)41-13-5-7-15-44(41)53-43-14-6-2-11-36(43)46-47(53)42(49)28-38-35-10-3-8-16-45(35)54-48(38)46/h1-28H
InChIKeyUVYKSGOYIRIKTL-UHFFFAOYSA-N
MW698.77 g/mol
LogP13.11
Rot. Bonds3

About N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine

N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine (PubChem CID 90270253) has the molecular formula C49H28F2N2O and a molecular weight of 698.77 g/mol. Its IUPAC name is N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine
PubChem CID90270253
Molecular FormulaC49H28F2N2O
Molecular Weight698.77 g/mol
Exact Mass698.22
IUPAC NameN,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine
SMILESFc1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-n3c4ccccc4c4c5oc6ccccc6c5cc2c43)cc1
InChIInChI=1S/C49H28F2N2O/c50-29-17-21-31(22-18-29)52(32-23-19-30(51)20-24-32)33-25-26-40-37(27-33)34-9-1-4-12-39(34)49(40)41-13-5-7-15-44(41)53-43-14-6-2-11-36(43)46-47(53)42(49)28-38-35-10-3-8-16-45(35)54-48(38)46/h1-28H
InChIKeyUVYKSGOYIRIKTL-UHFFFAOYSA-N
XLogP13.11
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.77
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine?
The IUPAC name of N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine (CID 90270253) is N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine.
What is the SMILES notation for N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine?
The canonical SMILES for N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine is Fc1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-n3c4ccccc4c4c5oc6ccccc6c5cc2c43)cc1.
What is the InChIKey of N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine?
The InChIKey is UVYKSGOYIRIKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28F2N2O/c50-29-17-21-31(22-18-29)52(32-23-19-30(51)20-24-32)33-25-26-40-37(27-33)34-9-1-4-12-39(34)49(40)41-13-5-7-15-44(41)53-43-14-6-2-11-36(43)46-47(53)42(49)28-38-35-10-3-8-16-45(35)54-48(38)46/h1-28H.
What are the key properties of N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine?
N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine has a molecular weight of 698.77 g/mol, XLogP of 13.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-fluorophenyl)spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-amine is sourced from PubChem (CID 90270253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).