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

C71H50N2O2 — CID 166726958

IUPAC2-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
SMILESC=Cc1c(/C=C\C)oc2cccc(N(c3ccccc3-c3ccccc3)c3cc4cc(N(c5ccccc5-c5ccccc5)c5cccc6oc7ccccc7c56)c(-c5ccccc5)cc4cc3-c3ccccc3)c12
InChIInChI=1S/C71H50N2O2/c1-3-25-66-54(4-2)70-62(39-23-42-68(70)74-66)72(60-37-20-17-34-55(60)48-26-9-5-10-27-48)64-46-53-47-65(59(51-32-15-8-16-33-51)45-52(53)44-58(64)50-30-13-7-14-31-50)73(61-38-21-18-35-56(61)49-28-11-6-12-29-49)63-40-24-43-69-71(63)57-36-19-22-41-67(57)75-69/h3-47H,2H2,1H3/b25-3-
InChIKeyCYCOCIUWUYRDPQ-GYEZCXOLSA-N
MW963.19 g/mol
LogP20.77
Rot. Bonds12

About 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

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 (PubChem CID 166726958) has the molecular formula C71H50N2O2 and a molecular weight of 963.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID166726958
Molecular FormulaC71H50N2O2
Molecular Weight963.19 g/mol
Exact Mass962.39
IUPAC Name2-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
SMILESC=Cc1c(/C=C\C)oc2cccc(N(c3ccccc3-c3ccccc3)c3cc4cc(N(c5ccccc5-c5ccccc5)c5cccc6oc7ccccc7c56)c(-c5ccccc5)cc4cc3-c3ccccc3)c12
InChIInChI=1S/C71H50N2O2/c1-3-25-66-54(4-2)70-62(39-23-42-68(70)74-66)72(60-37-20-17-34-55(60)48-26-9-5-10-27-48)64-46-53-47-65(59(51-32-15-8-16-33-51)45-52(53)44-58(64)50-30-13-7-14-31-50)73(61-38-21-18-35-56(61)49-28-11-6-12-29-49)63-40-24-43-69-71(63)57-36-19-22-41-67(57)75-69/h3-47H,2H2,1H3/b25-3-
InChIKeyCYCOCIUWUYRDPQ-GYEZCXOLSA-N
XLogP20.77
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.19
LogP ≤ 520.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine
CID 158255217
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
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-(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-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790854
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1c(/C=C\C)oc2cccc(N(c3ccccc3-c3ccccc3)c3cc4cc(N(c5ccccc5-c5ccccc5)c5cccc6oc7ccccc7c56)c(-c5ccccc5)cc4cc3-c3ccccc3)c12.
What is the InChIKey of 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?
The InChIKey is CYCOCIUWUYRDPQ-GYEZCXOLSA-N. The full InChI is InChI=1S/C71H50N2O2/c1-3-25-66-54(4-2)70-62(39-23-42-68(70)74-66)72(60-37-20-17-34-55(60)48-26-9-5-10-27-48)64-46-53-47-65(59(51-32-15-8-16-33-51)45-52(53)44-58(64)50-30-13-7-14-31-50)73(61-38-21-18-35-56(61)49-28-11-6-12-29-49)63-40-24-43-69-71(63)57-36-19-22-41-67(57)75-69/h3-47H,2H2,1H3/b25-3-.
What are the key properties of 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?
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 has a molecular weight of 963.19 g/mol, XLogP of 20.77, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166726958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).