N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine

C48H31FN2O2 — CID 126629775

IUPACN-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4ccccc4O5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H31FN2O2/c49-36-21-14-32(15-22-36)33-16-23-38(24-17-33)50(40-27-28-44-42(31-40)41-10-4-5-11-43(41)51(44)37-8-2-1-3-9-37)39-25-18-34(19-26-39)35-20-29-47-48(30-35)53-46-13-7-6-12-45(46)52-47/h1-31H
InChIKeyIVJSQGDDPGGXSC-UHFFFAOYSA-N
MW686.79 g/mol
LogP13.62
Rot. Bonds6

About N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine

N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 126629775) has the molecular formula C48H31FN2O2 and a molecular weight of 686.79 g/mol. Its IUPAC name is N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID126629775
Molecular FormulaC48H31FN2O2
Molecular Weight686.79 g/mol
Exact Mass686.24
IUPAC NameN-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4ccccc4O5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H31FN2O2/c49-36-21-14-32(15-22-36)33-16-23-38(24-17-33)50(40-27-28-44-42(31-40)41-10-4-5-11-43(41)51(44)37-8-2-1-3-9-37)39-25-18-34(19-26-39)35-20-29-47-48(30-35)53-46-13-7-6-12-45(46)52-47/h1-31H
InChIKeyIVJSQGDDPGGXSC-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

9-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbazole
CID 72723052
[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
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methylindole
CID 44142652
(3-Carbazol-9-yl-propyl)-[2-(3,4-dimethoxy-phenyl)-ethyl]-methylamine
CID 9801258
9-(4'-methoxybiphenyl-4-yl)-9H-carbazole
CID 58905910
9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole
CID 10550861
3-N,6-N-diphenyl-3-N,6-N,9-tris[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582206
9-Phenyl-3,6-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole
CID 59582224
3-N,6-N,9-triphenyl-3-N,6-N-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582226
4-[3-[4-(1,2,2-Trifluoroethenoxy)phenyl]carbazol-9-yl]aniline
CID 59609680
9-[4-[4-[4-(3,5-Difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole
CID 59629481

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (CID 126629775) is N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4ccccc4O5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is IVJSQGDDPGGXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31FN2O2/c49-36-21-14-32(15-22-36)33-16-23-38(24-17-33)50(40-27-28-44-42(31-40)41-10-4-5-11-43(41)51(44)37-8-2-1-3-9-37)39-25-18-34(19-26-39)35-20-29-47-48(30-35)53-46-13-7-6-12-45(46)52-47/h1-31H.
What are the key properties of N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
N-(4-dibenzo-p-dioxin-2-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-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 126629775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).