9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine

C72H44F2N4O2 — CID 154624011

IUPAC9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine
SMILESFc1ccc2oc3c(ccc4c3c3cc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7c9oc%10ccc(F)cc%10c9ccc7n8-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)c2c1
InChIInChI=1S/C72H44F2N4O2/c73-47-25-39-67-59(41-47)57-33-37-65-69(71(57)79-67)61-43-55(31-35-63(61)77(65)51-17-9-3-10-18-51)75(49-13-5-1-6-14-49)53-27-21-45(22-28-53)46-23-29-54(30-24-46)76(50-15-7-2-8-16-50)56-32-36-64-62(44-56)70-66(78(64)52-19-11-4-12-20-52)38-34-58-60-42-48(74)26-40-68(60)80-72(58)70/h1-44H
InChIKeyYRMIIBSPFBNJIB-UHFFFAOYSA-N
MW1035.17 g/mol
LogP20.56
Rot. Bonds9

About 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine

9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine (PubChem CID 154624011) has the molecular formula C72H44F2N4O2 and a molecular weight of 1035.17 g/mol. Its IUPAC name is 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine.

Molecular Properties

Compound Name9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine
PubChem CID154624011
Molecular FormulaC72H44F2N4O2
Molecular Weight1035.17 g/mol
Exact Mass1034.34
IUPAC Name9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine
SMILESFc1ccc2oc3c(ccc4c3c3cc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7c9oc%10ccc(F)cc%10c9ccc7n8-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)c2c1
InChIInChI=1S/C72H44F2N4O2/c73-47-25-39-67-59(41-47)57-33-37-65-69(71(57)79-67)61-43-55(31-35-63(61)77(65)51-17-9-3-10-18-51)75(49-13-5-1-6-14-49)53-27-21-45(22-28-53)46-23-29-54(30-24-46)76(50-15-7-2-8-16-50)56-32-36-64-62(44-56)70-66(78(64)52-19-11-4-12-20-52)38-34-58-60-42-48(74)26-40-68(60)80-72(58)70/h1-44H
InChIKeyYRMIIBSPFBNJIB-UHFFFAOYSA-N
XLogP20.56
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.17
LogP ≤ 520.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-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 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine?
The IUPAC name of 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine (CID 154624011) is 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine.
What is the SMILES notation for 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine?
The canonical SMILES for 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine is Fc1ccc2oc3c(ccc4c3c3cc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7c9oc%10ccc(F)cc%10c9ccc7n8-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)c2c1.
What is the InChIKey of 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine?
The InChIKey is YRMIIBSPFBNJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44F2N4O2/c73-47-25-39-67-59(41-47)57-33-37-65-69(71(57)79-67)61-43-55(31-35-63(61)77(65)51-17-9-3-10-18-51)75(49-13-5-1-6-14-49)53-27-21-45(22-28-53)46-23-29-54(30-24-46)76(50-15-7-2-8-16-50)56-32-36-64-62(44-56)70-66(78(64)52-19-11-4-12-20-52)38-34-58-60-42-48(74)26-40-68(60)80-72(58)70/h1-44H.
What are the key properties of 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine?
9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine has a molecular weight of 1035.17 g/mol, XLogP of 20.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-N-[4-[4-(N-(9-fluoro-5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)anilino)phenyl]phenyl]-N,5-diphenyl-[1]benzofuro[3,2-c]carbazol-2-amine is sourced from PubChem (CID 154624011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).