N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C58H38N2O — CID 121443674

IUPACN-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2cccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3ccc4oc5ccccc5c4c3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C58H38N2O/c1-3-17-45(18-4-1)59(48-30-26-39-14-7-8-15-40(39)34-48)47-21-13-16-43(35-47)49-31-27-41(36-53(49)44-29-33-58-54(37-44)52-23-10-12-25-57(52)61-58)42-28-32-51-50-22-9-11-24-55(50)60(56(51)38-42)46-19-5-2-6-20-46/h1-38H
InChIKeyZJJVWUAQWSUNKQ-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 121443674) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID121443674
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2cccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3ccc4oc5ccccc5c4c3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C58H38N2O/c1-3-17-45(18-4-1)59(48-30-26-39-14-7-8-15-40(39)34-48)47-21-13-16-43(35-47)49-31-27-41(36-53(49)44-29-33-58-54(37-44)52-23-10-12-25-57(52)61-58)42-28-32-51-50-22-9-11-24-55(50)60(56(51)38-42)46-19-5-2-6-20-46/h1-38H
InChIKeyZJJVWUAQWSUNKQ-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-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443601
3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline;bis(N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 160545889
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 162157282
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 121443717
3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 126628031
3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 176765099
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 161194033
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 129085108
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337481
6-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-2-amine
CID 121443751
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 121443674) is N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2cccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3ccc4oc5ccccc5c4c3)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is ZJJVWUAQWSUNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-3-17-45(18-4-1)59(48-30-26-39-14-7-8-15-40(39)34-48)47-21-13-16-43(35-47)49-31-27-41(36-53(49)44-29-33-58-54(37-44)52-23-10-12-25-57(52)61-58)42-28-32-51-50-22-9-11-24-55(50)60(56(51)38-42)46-19-5-2-6-20-46/h1-38H.
What are the key properties of N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-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 N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 121443674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).