3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline

C31H22N2O — CID 155237333

IUPAC3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline
SMILESCc1ccc2c(oc3ccccc32)c1-c1c(N)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C31H22N2O/c1-19-17-18-23-22-11-4-7-16-28(22)34-31(23)29(19)30-24(32)12-8-15-27(30)33-25-13-5-2-9-20(25)21-10-3-6-14-26(21)33/h2-18H,32H2,1H3
InChIKeyKRPXYSCAGHCXEE-UHFFFAOYSA-N
MW438.53 g/mol
LogP8.24
Rot. Bonds2

About 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline

3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline (PubChem CID 155237333) has the molecular formula C31H22N2O and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline
PubChem CID155237333
Molecular FormulaC31H22N2O
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC Name3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline
SMILESCc1ccc2c(oc3ccccc32)c1-c1c(N)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C31H22N2O/c1-19-17-18-23-22-11-4-7-16-28(22)34-31(23)29(19)30-24(32)12-8-15-27(30)33-25-13-5-2-9-20(25)21-10-3-6-14-26(21)33/h2-18H,32H2,1H3
InChIKeyKRPXYSCAGHCXEE-UHFFFAOYSA-N
XLogP8.24
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
CID 118530374
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 167347702
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
9-dibenzofuran-4-yl-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501186
12-dibenzofuran-1-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744311

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline?
The IUPAC name of 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline (CID 155237333) is 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline.
What is the SMILES notation for 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline?
The canonical SMILES for 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline is Cc1ccc2c(oc3ccccc32)c1-c1c(N)cccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline?
The InChIKey is KRPXYSCAGHCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O/c1-19-17-18-23-22-11-4-7-16-28(22)34-31(23)29(19)30-24(32)12-8-15-27(30)33-25-13-5-2-9-20(25)21-10-3-6-14-26(21)33/h2-18H,32H2,1H3.
What are the key properties of 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline?
3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline has a molecular weight of 438.53 g/mol, XLogP of 8.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-2-(3-methyldibenzofuran-4-yl)aniline is sourced from PubChem (CID 155237333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).