N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline

C52H34N2O — CID 167326322

IUPACN-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H34N2O/c1-2-15-37-34-38(29-28-35(37)14-1)36-30-32-39(33-31-36)53(45-21-7-5-18-42(45)43-20-13-27-51-52(43)44-19-6-12-26-50(44)55-51)48-24-10-11-25-49(48)54-46-22-8-3-16-40(46)41-17-4-9-23-47(41)54/h1-34H
InChIKeyOFALBVMJRFMWON-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline

N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 167326322) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID167326322
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H34N2O/c1-2-15-37-34-38(29-28-35(37)14-1)36-30-32-39(33-31-36)53(45-21-7-5-18-42(45)43-20-13-27-51-52(43)44-19-6-12-26-50(44)55-51)48-24-10-11-25-49(48)54-46-22-8-3-16-40(46)41-17-4-9-23-47(41)54/h1-34H
InChIKeyOFALBVMJRFMWON-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline (CID 167326322) is N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is OFALBVMJRFMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-15-37-34-38(29-28-35(37)14-1)36-30-32-39(33-31-36)53(45-21-7-5-18-42(45)43-20-13-27-51-52(43)44-19-6-12-26-50(44)55-51)48-24-10-11-25-49(48)54-46-22-8-3-16-40(46)41-17-4-9-23-47(41)54/h1-34H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline?
N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 167326322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).