N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline

C66H41NO2S — CID 164835646

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc(-c6cccc7sc8ccccc8c67)cc5)cc4)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C66H41NO2S/c1-2-12-44(13-3-1)54-41-40-53(65-56-15-5-8-20-59(56)69-66(54)65)45-26-24-42(25-27-45)43-28-34-48(35-29-43)67(49-36-30-46(31-37-49)51-17-10-21-60-63(51)55-14-4-7-19-58(55)68-60)50-38-32-47(33-39-50)52-18-11-23-62-64(52)57-16-6-9-22-61(57)70-62/h1-41H
InChIKeyZBCPCLBKULUNGY-UHFFFAOYSA-N
MW912.13 g/mol
LogP19.66
Rot. Bonds8

About N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline

N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline (PubChem CID 164835646) has the molecular formula C66H41NO2S and a molecular weight of 912.13 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
PubChem CID164835646
Molecular FormulaC66H41NO2S
Molecular Weight912.13 g/mol
Exact Mass911.29
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc(-c6cccc7sc8ccccc8c67)cc5)cc4)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C66H41NO2S/c1-2-12-44(13-3-1)54-41-40-53(65-56-15-5-8-20-59(56)69-66(54)65)45-26-24-42(25-27-45)43-28-34-48(35-29-43)67(49-36-30-46(31-37-49)51-17-10-21-60-63(51)55-14-4-7-19-58(55)68-60)50-38-32-47(33-39-50)52-18-11-23-62-64(52)57-16-6-9-22-61(57)70-62/h1-41H
InChIKeyZBCPCLBKULUNGY-UHFFFAOYSA-N
XLogP19.66
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.13
LogP ≤ 519.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 170123749
N-(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835622
4-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835628
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
CID 164835604
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835642
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447932

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline (CID 164835646) is N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc(-c6cccc7sc8ccccc8c67)cc5)cc4)cc3)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
The InChIKey is ZBCPCLBKULUNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2S/c1-2-12-44(13-3-1)54-41-40-53(65-56-15-5-8-20-59(56)69-66(54)65)45-26-24-42(25-27-45)43-28-34-48(35-29-43)67(49-36-30-46(31-37-49)51-17-10-21-60-63(51)55-14-4-7-19-58(55)68-60)50-38-32-47(33-39-50)52-18-11-23-62-64(52)57-16-6-9-22-61(57)70-62/h1-41H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline has a molecular weight of 912.13 g/mol, XLogP of 19.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline is sourced from PubChem (CID 164835646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).