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

C48H31FN2O2 — CID 126629825

IUPACN-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Oc4ccccc4O5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H31FN2O2/c49-35-23-17-32(18-24-35)33-19-25-37(26-20-33)50(39-29-30-44-42(31-39)41-11-4-5-13-43(41)51(44)36-9-2-1-3-10-36)38-27-21-34(22-28-38)40-12-8-16-47-48(40)53-46-15-7-6-14-45(46)52-47/h1-31H
InChIKeyXTNCSBGCFZDZTG-UHFFFAOYSA-N
MW686.79 g/mol
LogP13.62
Rot. Bonds6

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

N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 126629825) has the molecular formula C48H31FN2O2 and a molecular weight of 686.79 g/mol. Its IUPAC name is N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID126629825
Molecular FormulaC48H31FN2O2
Molecular Weight686.79 g/mol
Exact Mass686.24
IUPAC NameN-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Oc4ccccc4O5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H31FN2O2/c49-35-23-17-32(18-24-35)33-19-25-37(26-20-33)50(39-29-30-44-42(31-39)41-11-4-5-13-43(41)51(44)36-9-2-1-3-10-36)38-27-21-34(22-28-38)40-12-8-16-47-48(40)53-46-15-7-6-14-45(46)52-47/h1-31H
InChIKeyXTNCSBGCFZDZTG-UHFFFAOYSA-N
XLogP13.62
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.79
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,2-diphenyl-5-indolyl]methanol
CID 44142269
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1-methylindole
CID 44142457
9-Spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole
CID 139052249
1-[(9S)-1-benzyl-9H-xanthen-9-yl]-5-fluoro-2-[(1-methylpyrrolidin-2-yl)methyl]indole
CID 21969946
1-[(9R)-1-benzyl-9H-xanthen-9-yl]-5-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole
CID 21969950
1-[(9S)-1-benzyl-9H-xanthen-9-yl]-5-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole
CID 57203849
3-N,6-N-diphenyl-3-N,6-N,9-tris[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582206
3-N,6-N,9-triphenyl-3-N,6-N-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582226
9-(4-fluorophenyl)-N-(4-isocyanophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720533
N-(4-fluorophenyl)-N-(4-phenoxyphenyl)-9-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720536
9-(4-fluorophenyl)-N-naphthalen-2-yl-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720544
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720548

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (CID 126629825) is N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Oc4ccccc4O5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is XTNCSBGCFZDZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31FN2O2/c49-35-23-17-32(18-24-35)33-19-25-37(26-20-33)50(39-29-30-44-42(31-39)41-11-4-5-13-43(41)51(44)36-9-2-1-3-10-36)38-27-21-34(22-28-38)40-12-8-16-47-48(40)53-46-15-7-6-14-45(46)52-47/h1-31H.
What are the key properties of N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 686.79 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 126629825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).