N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C58H38N2O — CID 129085104

IUPACN-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)c4)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-2-13-39(14-3-1)40-27-30-46(31-28-40)59(48-32-34-53-52-23-7-9-26-57(52)61-58(53)38-48)47-20-11-19-44(36-47)42-17-10-18-43(35-42)45-29-33-51-50-22-6-8-24-55(50)60(56(51)37-45)54-25-12-16-41-15-4-5-21-49(41)54/h1-38H
InChIKeyAICBGFLWBHZENV-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 129085104) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID129085104
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)c4)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-2-13-39(14-3-1)40-27-30-46(31-28-40)59(48-32-34-53-52-23-7-9-26-57(52)61-58(53)38-48)47-20-11-19-44(36-47)42-17-10-18-43(35-42)45-29-33-51-50-22-6-8-24-55(50)60(56(51)37-45)54-25-12-16-41-15-4-5-21-49(41)54/h1-38H
InChIKeyAICBGFLWBHZENV-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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Related Compounds

N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 121311213
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline
CID 118505905
N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168809142
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 129085108
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
CID 153314590
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 167322658
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 153314841
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565654
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 129085104) is N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)c4)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is AICBGFLWBHZENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-2-13-39(14-3-1)40-27-30-46(31-28-40)59(48-32-34-53-52-23-7-9-26-57(52)61-58(53)38-48)47-20-11-19-44(36-47)42-17-10-18-43(35-42)45-29-33-51-50-22-6-8-24-55(50)60(56(51)37-45)54-25-12-16-41-15-4-5-21-49(41)54/h1-38H.
What are the key properties of N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)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-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 129085104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).