N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine

C84H53FN4O4 — CID 126647948

IUPACN-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7c6Oc6ccccc6O7)cc5)c4)cc3)c3cccc4c3Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C84H53FN4O4/c85-60-39-31-54(32-40-60)55-33-41-62(42-34-55)86(75-23-13-29-81-83(75)92-79-27-10-8-25-77(79)90-81)66-48-50-74-70(53-66)68-20-5-7-22-72(68)89(74)64-45-37-57(38-46-64)59-16-12-15-58(51-59)56-35-43-63(44-36-56)87(76-24-14-30-82-84(76)93-80-28-11-9-26-78(80)91-82)65-47-49-73-69(52-65)67-19-4-6-21-71(67)88(73)61-17-2-1-3-18-61/h1-53H
InChIKeyJHWUVCMBPITMFC-UHFFFAOYSA-N
MW1201.37 g/mol
LogP23.76
Rot. Bonds11

About N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine

N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine (PubChem CID 126647948) has the molecular formula C84H53FN4O4 and a molecular weight of 1201.37 g/mol. Its IUPAC name is N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
PubChem CID126647948
Molecular FormulaC84H53FN4O4
Molecular Weight1201.37 g/mol
Exact Mass1200.41
IUPAC NameN-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7c6Oc6ccccc6O7)cc5)c4)cc3)c3cccc4c3Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C84H53FN4O4/c85-60-39-31-54(32-40-60)55-33-41-62(42-34-55)86(75-23-13-29-81-83(75)92-79-27-10-8-25-77(79)90-81)66-48-50-74-70(53-66)68-20-5-7-22-72(68)89(74)64-45-37-57(38-46-64)59-16-12-15-58(51-59)56-35-43-63(44-36-56)87(76-24-14-30-82-84(76)93-80-28-11-9-26-78(80)91-82)65-47-49-73-69(52-65)67-19-4-6-21-71(67)88(73)61-17-2-1-3-18-61/h1-53H
InChIKeyJHWUVCMBPITMFC-UHFFFAOYSA-N
XLogP23.76
TPSA53.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.37
LogP ≤ 523.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine (CID 126647948) is N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7c6Oc6ccccc6O7)cc5)c4)cc3)c3cccc4c3Oc3ccccc3O4)cc2)cc1.
What is the InChIKey of N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is JHWUVCMBPITMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H53FN4O4/c85-60-39-31-54(32-40-60)55-33-41-62(42-34-55)86(75-23-13-29-81-83(75)92-79-27-10-8-25-77(79)90-81)66-48-50-74-70(53-66)68-20-5-7-22-72(68)89(74)64-45-37-57(38-46-64)59-16-12-15-58(51-59)56-35-43-63(44-36-56)87(76-24-14-30-82-84(76)93-80-28-11-9-26-78(80)91-82)65-47-49-73-69(52-65)67-19-4-6-21-71(67)88(73)61-17-2-1-3-18-61/h1-53H.
What are the key properties of N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine?
N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 1201.37 g/mol, XLogP of 23.76, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzo-p-dioxin-1-yl-N-[4-[3-[4-[3-[N-dibenzo-p-dioxin-1-yl-4-(4-fluorophenyl)anilino]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 126647948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).