N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

C66H44N2O2 — CID 167086573

IUPACN-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7oc8ccccc8c67)c5)c4)c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O2/c1-3-15-45(16-4-1)47-31-33-48(34-32-47)50-37-41-54(42-38-50)68(60-26-14-30-64-66(60)58-24-8-10-28-62(58)70-64)56-22-12-20-52(44-56)51-19-11-21-55(43-51)67(53-39-35-49(36-40-53)46-17-5-2-6-18-46)59-25-13-29-63-65(59)57-23-7-9-27-61(57)69-63/h1-44H
InChIKeyAAQGBTAIUSGOHV-UHFFFAOYSA-N
MW897.09 g/mol
LogP19.09
Rot. Bonds10

About N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 167086573) has the molecular formula C66H44N2O2 and a molecular weight of 897.09 g/mol. Its IUPAC name is N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID167086573
Molecular FormulaC66H44N2O2
Molecular Weight897.09 g/mol
Exact Mass896.34
IUPAC NameN-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7oc8ccccc8c67)c5)c4)c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O2/c1-3-15-45(16-4-1)47-31-33-48(34-32-47)50-37-41-54(42-38-50)68(60-26-14-30-64-66(60)58-24-8-10-28-62(58)70-64)56-22-12-20-52(44-56)51-19-11-21-55(43-51)67(53-39-35-49(36-40-53)46-17-5-2-6-18-46)59-25-13-29-63-65(59)57-23-7-9-27-61(57)69-63/h1-44H
InChIKeyAAQGBTAIUSGOHV-UHFFFAOYSA-N
XLogP19.09
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.09
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 174321862
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 158699050
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237
2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89254671
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 167086573) is N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7oc8ccccc8c67)c5)c4)c4cccc5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is AAQGBTAIUSGOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O2/c1-3-15-45(16-4-1)47-31-33-48(34-32-47)50-37-41-54(42-38-50)68(60-26-14-30-64-66(60)58-24-8-10-28-62(58)70-64)56-22-12-20-52(44-56)51-19-11-21-55(43-51)67(53-39-35-49(36-40-53)46-17-5-2-6-18-46)59-25-13-29-63-65(59)57-23-7-9-27-61(57)69-63/h1-44H.
What are the key properties of N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 897.09 g/mol, XLogP of 19.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167086573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).