4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine

C58H35NO3 — CID 58510698

IUPAC4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)cc12
InChIInChI=1S/C58H35NO3/c1-2-11-44-42(10-1)43(48-15-9-16-49-45-12-3-8-19-55(45)62-58(48)49)30-31-52(44)59(40-26-20-36(21-27-40)38-24-32-56-50(34-38)46-13-4-6-17-53(46)60-56)41-28-22-37(23-29-41)39-25-33-57-51(35-39)47-14-5-7-18-54(47)61-57/h1-35H
InChIKeyHYKKQVBTWVLKMI-UHFFFAOYSA-N
MW793.92 g/mol
LogP17.01
Rot. Bonds6

About 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine

4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine (PubChem CID 58510698) has the molecular formula C58H35NO3 and a molecular weight of 793.92 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
PubChem CID58510698
Molecular FormulaC58H35NO3
Molecular Weight793.92 g/mol
Exact Mass793.26
IUPAC Name4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)cc12
InChIInChI=1S/C58H35NO3/c1-2-11-44-42(10-1)43(48-15-9-16-49-45-12-3-8-19-55(45)62-58(48)49)30-31-52(44)59(40-26-20-36(21-27-40)38-24-32-56-50(34-38)46-13-4-6-17-53(46)60-56)41-28-22-37(23-29-41)39-25-33-57-51(35-39)47-14-5-7-18-54(47)61-57/h1-35H
InChIKeyHYKKQVBTWVLKMI-UHFFFAOYSA-N
XLogP17.01
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.92
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine;4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 167649137
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
1-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-4-amine;1-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)dibenzofuran-4-amine;1-dibenzofuran-4-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 160558058
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 160744349
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-4-amine
CID 159092956
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434963
4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline
CID 121323235

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine?
The IUPAC name of 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine (CID 58510698) is 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine is c1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)cc12.
What is the InChIKey of 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine?
The InChIKey is HYKKQVBTWVLKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO3/c1-2-11-44-42(10-1)43(48-15-9-16-49-45-12-3-8-19-55(45)62-58(48)49)30-31-52(44)59(40-26-20-36(21-27-40)38-24-32-56-50(34-38)46-13-4-6-17-53(46)60-56)41-28-22-37(23-29-41)39-25-33-57-51(35-39)47-14-5-7-18-54(47)61-57/h1-35H.
What are the key properties of 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine?
4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine has a molecular weight of 793.92 g/mol, XLogP of 17.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 58510698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).