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

C42H27FN2O2 — CID 126629799

IUPACN-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C42H27FN2O2/c43-30-21-17-28(18-22-30)29-19-23-32(24-20-29)44(38-13-8-16-41-42(38)47-40-15-7-6-14-39(40)46-41)33-25-26-37-35(27-33)34-11-4-5-12-36(34)45(37)31-9-2-1-3-10-31/h1-27H
InChIKeyIXTOBJYUKXMOID-UHFFFAOYSA-N
MW610.69 g/mol
LogP11.96
Rot. Bonds5

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

N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 126629799) has the molecular formula C42H27FN2O2 and a molecular weight of 610.69 g/mol. Its IUPAC name is N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID126629799
Molecular FormulaC42H27FN2O2
Molecular Weight610.69 g/mol
Exact Mass610.21
IUPAC NameN-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C42H27FN2O2/c43-30-21-17-28(18-22-30)29-19-23-32(24-20-29)44(38-13-8-16-41-42(38)47-40-15-7-6-14-39(40)46-41)33-25-26-37-35(27-33)34-11-4-5-12-36(34)45(37)31-9-2-1-3-10-31/h1-27H
InChIKeyIXTOBJYUKXMOID-UHFFFAOYSA-N
XLogP11.96
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.69
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,6,8-Tetramethyl-9-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]carbazole
CID 122379695
1-[2-[4-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole
CID 22725269
9-(4-fluorophenyl)-N-naphthalen-1-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine
CID 121357317
N-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 121357360
N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 121357372
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 121357431
9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)carbazol-3-amine
CID 124183715
N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 126629739
N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 126629775
N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 126629825
N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-amine
CID 126635996
N-[4-(6,7-dihydrodibenzo-p-dioxin-1-yl)phenyl]-N-[4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]phenyl]-9-phenylcarbazol-3-amine
CID 126636147

Frequently Asked Questions

What is the IUPAC name of N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (CID 126629799) is N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3Oc3ccccc3O4)cc2)cc1.
What is the InChIKey of N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is IXTOBJYUKXMOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27FN2O2/c43-30-21-17-28(18-22-30)29-19-23-32(24-20-29)44(38-13-8-16-41-42(38)47-40-15-7-6-14-39(40)46-41)33-25-26-37-35(27-33)34-11-4-5-12-36(34)45(37)31-9-2-1-3-10-31/h1-27H.
What are the key properties of N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 610.69 g/mol, XLogP of 11.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 126629799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).