6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine

C58H38N2O — CID 121443751

IUPAC6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)ccc3c2)cc1
InChIInChI=1S/C58H38N2O/c1-4-14-47(15-5-1)59(48-16-6-2-7-17-48)50-29-26-39-32-40(24-25-41(39)36-50)44-33-45(35-46(34-44)43-28-31-54-53-21-11-13-23-57(53)61-58(54)38-43)42-27-30-52-51-20-10-12-22-55(51)60(56(52)37-42)49-18-8-3-9-19-49/h1-38H
InChIKeyMHEFZZNUAGCSEQ-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine

6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine (PubChem CID 121443751) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine.

Molecular Properties

Compound Name6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine
PubChem CID121443751
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)ccc3c2)cc1
InChIInChI=1S/C58H38N2O/c1-4-14-47(15-5-1)59(48-16-6-2-7-17-48)50-29-26-39-32-40(24-25-41(39)36-50)44-33-45(35-46(34-44)43-28-31-54-53-21-11-13-23-57(53)61-58(54)38-43)42-27-30-52-51-20-10-12-22-55(51)60(56(52)37-42)49-18-8-3-9-19-49/h1-38H
InChIKeyMHEFZZNUAGCSEQ-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-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025
3-carbazol-9-yl-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578380
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 129085108
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
2-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753463
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189

Frequently Asked Questions

What is the IUPAC name of 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine?
The IUPAC name of 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine (CID 121443751) is 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine.
What is the SMILES notation for 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine?
The canonical SMILES for 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine is c1ccc(N(c2ccccc2)c2ccc3cc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)ccc3c2)cc1.
What is the InChIKey of 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine?
The InChIKey is MHEFZZNUAGCSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-14-47(15-5-1)59(48-16-6-2-7-17-48)50-29-26-39-32-40(24-25-41(39)36-50)44-33-45(35-46(34-44)43-28-31-54-53-21-11-13-23-57(53)61-58(54)38-43)42-27-30-52-51-20-10-12-22-55(51)60(56(52)37-42)49-18-8-3-9-19-49/h1-38H.
What are the key properties of 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine?
6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-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 6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine is sourced from PubChem (CID 121443751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).