N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C48H30FN3O2 — CID 155428243

IUPACN-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESFc1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2cccc4c2N3c2ccccc2O4)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H30FN3O2/c49-32-23-21-31(22-24-32)36-13-4-6-15-39(36)50(34-25-27-41-38(29-34)37-14-5-7-16-40(37)51(41)33-11-2-1-3-12-33)35-26-28-43-47(30-35)54-46-20-10-19-45-48(46)52(43)42-17-8-9-18-44(42)53-45/h1-30H
InChIKeyZKNOSHDWNOJDSJ-UHFFFAOYSA-N
MW699.79 g/mol
LogP13.74
Rot. Bonds5

About N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 155428243) has the molecular formula C48H30FN3O2 and a molecular weight of 699.79 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID155428243
Molecular FormulaC48H30FN3O2
Molecular Weight699.79 g/mol
Exact Mass699.23
IUPAC NameN-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESFc1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2cccc4c2N3c2ccccc2O4)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H30FN3O2/c49-32-23-21-31(22-24-32)36-13-4-6-15-39(36)50(34-25-27-41-38(29-34)37-14-5-7-16-40(37)51(41)33-11-2-1-3-12-33)35-26-28-43-47(30-35)54-46-20-10-19-45-48(46)52(43)42-17-8-9-18-44(42)53-45/h1-30H
InChIKeyZKNOSHDWNOJDSJ-UHFFFAOYSA-N
XLogP13.74
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.79
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 155428243) is N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is Fc1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2cccc4c2N3c2ccccc2O4)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is ZKNOSHDWNOJDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O2/c49-32-23-21-31(22-24-32)36-13-4-6-15-39(36)50(34-25-27-41-38(29-34)37-14-5-7-16-40(37)51(41)33-11-2-1-3-12-33)35-26-28-43-47(30-35)54-46-20-10-19-45-48(46)52(43)42-17-8-9-18-44(42)53-45/h1-30H.
What are the key properties of N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 699.79 g/mol, XLogP of 13.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 155428243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).