N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine

C60H42N2O — CID 71126851

IUPACN,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2O/c1-5-15-43(16-6-1)45-27-35-51(36-28-45)61(52-37-29-46(30-38-52)44-17-7-2-8-18-44)53-39-31-47(32-40-53)48-33-41-54(42-34-48)62(50-21-11-4-12-22-50)58-26-14-25-57-56-24-13-23-55(59(56)63-60(57)58)49-19-9-3-10-20-49/h1-42H
InChIKeyXBJXVZUJELBBJS-UHFFFAOYSA-N
MW807.01 g/mol
LogP17.19
Rot. Bonds10

About N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine

N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 71126851) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
PubChem CID71126851
Molecular FormulaC60H42N2O
Molecular Weight807.01 g/mol
Exact Mass806.33
IUPAC NameN,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H42N2O/c1-5-15-43(16-6-1)45-27-35-51(36-28-45)61(52-37-29-46(30-38-52)44-17-7-2-8-18-44)53-39-31-47(32-40-53)48-33-41-54(42-34-48)62(50-21-11-4-12-22-50)58-26-14-25-57-56-24-13-23-55(59(56)63-60(57)58)49-19-9-3-10-20-49/h1-42H
InChIKeyXBJXVZUJELBBJS-UHFFFAOYSA-N
XLogP17.19
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393653
N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 162090302
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N,4-diphenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]phenyl]aniline
CID 130208173
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine
CID 168771919
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505
N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 160941283

Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine (CID 71126851) is N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine?
The InChIKey is XBJXVZUJELBBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-5-15-43(16-6-1)45-27-35-51(36-28-45)61(52-37-29-46(30-38-52)44-17-7-2-8-18-44)53-39-31-47(32-40-53)48-33-41-54(42-34-48)62(50-21-11-4-12-22-50)58-26-14-25-57-56-24-13-23-55(59(56)63-60(57)58)49-19-9-3-10-20-49/h1-42H.
What are the key properties of N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine?
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 807.01 g/mol, XLogP of 17.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 71126851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).