2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine

C70H46N2O2 — CID 158255217

IUPAC2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine
SMILESc1ccc(-c2ccccc2N(c2cc3cc(-c4ccccc4)c(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3cc2-c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C70H46N2O2/c1-5-23-47(24-6-1)53-31-13-17-35-59(53)71(61-37-21-41-67-69(61)55-33-15-19-39-65(55)73-67)63-45-51-44-58(50-29-11-4-12-30-50)64(46-52(51)43-57(63)49-27-9-3-10-28-49)72(60-36-18-14-32-54(60)48-25-7-2-8-26-48)62-38-22-42-68-70(62)56-34-16-20-40-66(56)74-68/h1-46H
InChIKeyLKQGWWGMJBRWLE-UHFFFAOYSA-N
MW947.15 g/mol
LogP20.25
Rot. Bonds10

About 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine

2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine (PubChem CID 158255217) has the molecular formula C70H46N2O2 and a molecular weight of 947.15 g/mol. Its IUPAC name is 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine
PubChem CID158255217
Molecular FormulaC70H46N2O2
Molecular Weight947.15 g/mol
Exact Mass946.36
IUPAC Name2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine
SMILESc1ccc(-c2ccccc2N(c2cc3cc(-c4ccccc4)c(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3cc2-c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C70H46N2O2/c1-5-23-47(24-6-1)53-31-13-17-35-59(53)71(61-37-21-41-67-69(61)55-33-15-19-39-65(55)73-67)63-45-51-44-58(50-29-11-4-12-30-50)64(46-52(51)43-57(63)49-27-9-3-10-28-49)72(60-36-18-14-32-54(60)48-25-7-2-8-26-48)62-38-22-42-68-70(62)56-34-16-20-40-66(56)74-68/h1-46H
InChIKeyLKQGWWGMJBRWLE-UHFFFAOYSA-N
XLogP20.25
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.15
LogP ≤ 520.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-dibenzofuran-1-yl-7-N-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-3,6-diphenyl-2-N,7-N-bis(2-phenylphenyl)naphthalene-2,7-diamine
CID 166726958
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790854
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
CID 177063669
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294756

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine?
The IUPAC name of 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine (CID 158255217) is 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine?
The canonical SMILES for 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine is c1ccc(-c2ccccc2N(c2cc3cc(-c4ccccc4)c(N(c4ccccc4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3cc2-c2ccccc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine?
The InChIKey is LKQGWWGMJBRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O2/c1-5-23-47(24-6-1)53-31-13-17-35-59(53)71(61-37-21-41-67-69(61)55-33-15-19-39-65(55)73-67)63-45-51-44-58(50-29-11-4-12-30-50)64(46-52(51)43-57(63)49-27-9-3-10-28-49)72(60-36-18-14-32-54(60)48-25-7-2-8-26-48)62-38-22-42-68-70(62)56-34-16-20-40-66(56)74-68/h1-46H.
What are the key properties of 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine?
2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine has a molecular weight of 947.15 g/mol, XLogP of 20.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine is sourced from PubChem (CID 158255217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).