N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

C58H38N2O — CID 170298890

IUPACN-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C58H38N2O/c1-3-17-39(18-4-1)45-27-15-19-40-20-16-28-50(58(40)45)46-24-8-12-30-53(46)60(43-34-35-49-48-26-10-14-32-56(48)61-57(49)38-43)52-29-11-7-23-44(52)41-33-36-55-51(37-41)47-25-9-13-31-54(47)59(55)42-21-5-2-6-22-42/h1-38H
InChIKeyLCVHENBDVBZAEX-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (PubChem CID 170298890) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
PubChem CID170298890
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C58H38N2O/c1-3-17-39(18-4-1)45-27-15-19-40-20-16-28-50(58(40)45)46-24-8-12-30-53(46)60(43-34-35-49-48-26-10-14-32-56(48)61-57(49)38-43)52-29-11-7-23-44(52)41-33-36-55-51(37-41)47-25-9-13-31-54(47)59(55)42-21-5-2-6-22-42/h1-38H
InChIKeyLCVHENBDVBZAEX-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (CID 170298890) is N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c23)cc1.
What is the InChIKey of N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is LCVHENBDVBZAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-3-17-39(18-4-1)45-27-15-19-40-20-16-28-50(58(40)45)46-24-8-12-30-53(46)60(43-34-35-49-48-26-10-14-32-56(48)61-57(49)38-43)52-29-11-7-23-44(52)41-33-36-55-51(37-41)47-25-9-13-31-54(47)59(55)42-21-5-2-6-22-42/h1-38H.
What are the key properties of N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 170298890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).