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-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

C48H30FN3O2 — CID 155428419

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-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
SMILESFc1ccc(-c2ccccc2N(c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H30FN3O2/c49-32-24-22-31(23-25-32)36-14-4-6-16-39(36)50(34-26-27-41-38(28-34)37-15-5-7-17-40(37)51(41)33-12-2-1-3-13-33)35-29-46-48-47(30-35)54-45-21-11-9-19-43(45)52(48)42-18-8-10-20-44(42)53-46/h1-30H
InChIKeyKPKIDWJWEBXHCW-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-2,4,6,9,11,13(21),15,17,19-nonaen-11-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-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (PubChem CID 155428419) 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-2,4,6,9,11,13(21),15,17,19-nonaen-11-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-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
PubChem CID155428419
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-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
SMILESFc1ccc(-c2ccccc2N(c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H30FN3O2/c49-32-24-22-31(23-25-32)36-14-4-6-16-39(36)50(34-26-27-41-38(28-34)37-15-5-7-17-40(37)51(41)33-12-2-1-3-13-33)35-29-46-48-47(30-35)54-45-21-11-9-19-43(45)52(48)42-18-8-10-20-44(42)53-46/h1-30H
InChIKeyKPKIDWJWEBXHCW-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-2,4,6,9,11,13(21),15,17,19-nonaen-11-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-[2-(4-fluorophenyl)phenyl]-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-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-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (CID 155428419) 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-2,4,6,9,11,13(21),15,17,19-nonaen-11-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-2,4,6,9,11,13(21),15,17,19-nonaen-11-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-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is Fc1ccc(-c2ccccc2N(c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)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-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?
The InChIKey is KPKIDWJWEBXHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O2/c49-32-24-22-31(23-25-32)36-14-4-6-16-39(36)50(34-26-27-41-38(28-34)37-15-5-7-17-40(37)51(41)33-12-2-1-3-13-33)35-29-46-48-47(30-35)54-45-21-11-9-19-43(45)52(48)42-18-8-10-20-44(42)53-46/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-2,4,6,9,11,13(21),15,17,19-nonaen-11-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-2,4,6,9,11,13(21),15,17,19-nonaen-11-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-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is sourced from PubChem (CID 155428419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).