N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine

C52H34N2O — CID 168809325

IUPACN-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)ccc4ccccc34)c2)cc1
InChIInChI=1S/C52H34N2O/c1-2-15-35(16-3-1)37-18-14-19-38(33-37)53(39-30-31-44-43-23-9-13-28-50(43)55-51(44)34-39)48-27-12-8-24-45(48)52-40-20-5-4-17-36(40)29-32-49(52)54-46-25-10-6-21-41(46)42-22-7-11-26-47(42)54/h1-34H
InChIKeyAOMYSQXPZDSTCA-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine

N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 168809325) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID168809325
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)ccc4ccccc34)c2)cc1
InChIInChI=1S/C52H34N2O/c1-2-15-35(16-3-1)37-18-14-19-38(33-37)53(39-30-31-44-43-23-9-13-28-50(43)55-51(44)34-39)48-27-12-8-24-45(48)52-40-20-5-4-17-36(40)29-32-49(52)54-46-25-10-6-21-41(46)42-22-7-11-26-47(42)54/h1-34H
InChIKeyAOMYSQXPZDSTCA-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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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 168809325) is N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)ccc4ccccc34)c2)cc1.
What is the InChIKey of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is AOMYSQXPZDSTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-15-35(16-3-1)37-18-14-19-38(33-37)53(39-30-31-44-43-23-9-13-28-50(43)55-51(44)34-39)48-27-12-8-24-45(48)52-40-20-5-4-17-36(40)29-32-49(52)54-46-25-10-6-21-41(46)42-22-7-11-26-47(42)54/h1-34H.
What are the key properties of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine 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-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 168809325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).