N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine

C70H44N2O3 — CID 164934474

IUPACN-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3ccccc3-c3cccc4oc5cccc(N(c6ccccc6)c6ccc7oc8cc9ccccc9cc8c7c6)c5c34)cc2)cc1
InChIInChI=1S/C70H44N2O3/c1-3-17-50(18-4-1)71(52-34-29-45(30-35-52)49-33-39-64-59(42-49)57-23-11-12-26-63(57)73-64)53-36-31-46(32-37-53)55-21-9-10-22-56(55)58-24-13-27-66-69(58)70-62(25-14-28-67(70)75-66)72(51-19-5-2-6-20-51)54-38-40-65-61(44-54)60-41-47-15-7-8-16-48(47)43-68(60)74-65/h1-44H
InChIKeyJJHFGYQGOIGTJB-UHFFFAOYSA-N
MW961.13 g/mol
LogP20.48
Rot. Bonds9

About N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine

N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 164934474) has the molecular formula C70H44N2O3 and a molecular weight of 961.13 g/mol. Its IUPAC name is N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine
PubChem CID164934474
Molecular FormulaC70H44N2O3
Molecular Weight961.13 g/mol
Exact Mass960.34
IUPAC NameN-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3ccccc3-c3cccc4oc5cccc(N(c6ccccc6)c6ccc7oc8cc9ccccc9cc8c7c6)c5c34)cc2)cc1
InChIInChI=1S/C70H44N2O3/c1-3-17-50(18-4-1)71(52-34-29-45(30-35-52)49-33-39-64-59(42-49)57-23-11-12-26-63(57)73-64)53-36-31-46(32-37-53)55-21-9-10-22-56(55)58-24-13-27-66-69(58)70-62(25-14-28-67(70)75-66)72(51-19-5-2-6-20-51)54-38-40-65-61(44-54)60-41-47-15-7-8-16-48(47)43-68(60)74-65/h1-44H
InChIKeyJJHFGYQGOIGTJB-UHFFFAOYSA-N
XLogP20.48
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.13
LogP ≤ 520.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)dibenzofuran-2-amine
CID 174278954
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
CID 146573619
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300509
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294640
3-N-dibenzofuran-2-yl-3-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-1-N-phenyl-1-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 170779522
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,3-b][1]benzofuran-4-amine
CID 169285185
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 147363119
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985

Frequently Asked Questions

What is the IUPAC name of N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine (CID 164934474) is N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine is c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3ccccc3-c3cccc4oc5cccc(N(c6ccccc6)c6ccc7oc8cc9ccccc9cc8c7c6)c5c34)cc2)cc1.
What is the InChIKey of N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is JJHFGYQGOIGTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O3/c1-3-17-50(18-4-1)71(52-34-29-45(30-35-52)49-33-39-64-59(42-49)57-23-11-12-26-63(57)73-64)53-36-31-46(32-37-53)55-21-9-10-22-56(55)58-24-13-27-66-69(58)70-62(25-14-28-67(70)75-66)72(51-19-5-2-6-20-51)54-38-40-65-61(44-54)60-41-47-15-7-8-16-48(47)43-68(60)74-65/h1-44H.
What are the key properties of N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 961.13 g/mol, XLogP of 20.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[2-[4-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-yl]-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 164934474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).