N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline

C66H41NO3 — CID 58510590

IUPACN,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc5)cc4)cc3)cc12
InChIInChI=1S/C66H41NO3/c1-4-10-61-55(7-1)58-39-49(27-36-64(58)68-61)46-19-17-43(18-20-46)42-13-15-44(16-14-42)45-21-30-52(31-22-45)67(53-32-23-47(24-33-53)50-28-37-65-59(40-50)56-8-2-5-11-62(56)69-65)54-34-25-48(26-35-54)51-29-38-66-60(41-51)57-9-3-6-12-63(57)70-66/h1-41H
InChIKeyCQJSFAYQQJGLGZ-UHFFFAOYSA-N
MW896.06 g/mol
LogP19.19
Rot. Bonds8

About N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline

N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline (PubChem CID 58510590) has the molecular formula C66H41NO3 and a molecular weight of 896.06 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
PubChem CID58510590
Molecular FormulaC66H41NO3
Molecular Weight896.06 g/mol
Exact Mass895.31
IUPAC NameN,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc5)cc4)cc3)cc12
InChIInChI=1S/C66H41NO3/c1-4-10-61-55(7-1)58-39-49(27-36-64(58)68-61)46-19-17-43(18-20-46)42-13-15-44(16-14-42)45-21-30-52(31-22-45)67(53-32-23-47(24-33-53)50-28-37-65-59(40-50)56-8-2-5-11-62(56)69-65)54-34-25-48(26-35-54)51-29-38-66-60(41-51)57-9-3-6-12-63(57)70-66/h1-41H
InChIKeyCQJSFAYQQJGLGZ-UHFFFAOYSA-N
XLogP19.19
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.06
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline?
The IUPAC name of N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline (CID 58510590) is N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc5)cc4)cc3)cc12.
What is the InChIKey of N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline?
The InChIKey is CQJSFAYQQJGLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO3/c1-4-10-61-55(7-1)58-39-49(27-36-64(58)68-61)46-19-17-43(18-20-46)42-13-15-44(16-14-42)45-21-30-52(31-22-45)67(53-32-23-47(24-33-53)50-28-37-65-59(40-50)56-8-2-5-11-62(56)69-65)54-34-25-48(26-35-54)51-29-38-66-60(41-51)57-9-3-6-12-63(57)70-66/h1-41H.
What are the key properties of N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline?
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline has a molecular weight of 896.06 g/mol, XLogP of 19.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 58510590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).