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

C42H27FN2O2 — CID 126629739

IUPACN-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3O4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H27FN2O2/c43-30-18-14-28(15-19-30)29-16-20-32(21-17-29)44(34-23-25-41-42(27-34)47-40-13-7-6-12-39(40)46-41)33-22-24-38-36(26-33)35-10-4-5-11-37(35)45(38)31-8-2-1-3-9-31/h1-27H
InChIKeyMCORZPDJTVEGNX-UHFFFAOYSA-N
MW610.69 g/mol
LogP11.96
Rot. Bonds5

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

N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 126629739) has the molecular formula C42H27FN2O2 and a molecular weight of 610.69 g/mol. Its IUPAC name is N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID126629739
Molecular FormulaC42H27FN2O2
Molecular Weight610.69 g/mol
Exact Mass610.21
IUPAC NameN-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3O4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H27FN2O2/c43-30-18-14-28(15-19-30)29-16-20-32(21-17-29)44(34-23-25-41-42(27-34)47-40-13-7-6-12-39(40)46-41)33-22-24-38-36(26-33)35-10-4-5-11-37(35)45(38)31-8-2-1-3-9-31/h1-27H
InChIKeyMCORZPDJTVEGNX-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

2-N',2-N',6-N',6-N',11-pentaethylspiro[chromeno[4,3-b]indole-6,9'-xanthene]-2',6'-diamine
CID 371885
1-(3,4-Dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole
CID 11545730
9-(4-Fluorophenyl)-2,3,6,7-tetramethoxycarbazole
CID 134948888
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,2-dimethylindol-3-yl)methanimine
CID 2344599
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-[(3S)-6-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl]-N-methyl-N-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]methanamine
CID 11996983
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59381381
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-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720542

Frequently Asked Questions

What is the IUPAC name of N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (CID 126629739) is N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3O4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is MCORZPDJTVEGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27FN2O2/c43-30-18-14-28(15-19-30)29-16-20-32(21-17-29)44(34-23-25-41-42(27-34)47-40-13-7-6-12-39(40)46-41)33-22-24-38-36(26-33)35-10-4-5-11-37(35)45(38)31-8-2-1-3-9-31/h1-27H.
What are the key properties of N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
N-dibenzo-p-dioxin-2-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-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 126629739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).