N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline

C67H45NO2S — CID 167352694

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)sc(-c3ccccc3)c21
InChIInChI=1S/C67H45NO2S/c1-67(2)58-23-9-6-18-57(58)61-62(67)66(46-14-4-3-5-15-46)71-65(61)47-28-26-42(27-29-47)43-30-36-48(37-31-43)68(49-38-32-44(33-39-49)51-19-12-21-55-53-16-7-10-24-59(53)69-63(51)55)50-40-34-45(35-41-50)52-20-13-22-56-54-17-8-11-25-60(54)70-64(52)56/h3-41H,1-2H3
InChIKeyFHAABEYSUIRTNT-UHFFFAOYSA-N
MW928.17 g/mol
LogP19.66
Rot. Bonds8

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline (PubChem CID 167352694) has the molecular formula C67H45NO2S and a molecular weight of 928.17 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline
PubChem CID167352694
Molecular FormulaC67H45NO2S
Molecular Weight928.17 g/mol
Exact Mass927.32
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)sc(-c3ccccc3)c21
InChIInChI=1S/C67H45NO2S/c1-67(2)58-23-9-6-18-57(58)61-62(67)66(46-14-4-3-5-15-46)71-65(61)47-28-26-42(27-29-47)43-30-36-48(37-31-43)68(49-38-32-44(33-39-49)51-19-12-21-55-53-16-7-10-24-59(53)69-63(51)55)50-40-34-45(35-41-50)52-20-13-22-56-54-17-8-11-25-60(54)70-64(52)56/h3-41H,1-2H3
InChIKeyFHAABEYSUIRTNT-UHFFFAOYSA-N
XLogP19.66
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.17
LogP ≤ 519.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline
CID 155095551
N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284394
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839577
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372912

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline (CID 167352694) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)sc(-c3ccccc3)c21.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline?
The InChIKey is FHAABEYSUIRTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO2S/c1-67(2)58-23-9-6-18-57(58)61-62(67)66(46-14-4-3-5-15-46)71-65(61)47-28-26-42(27-29-47)43-30-36-48(37-31-43)68(49-38-32-44(33-39-49)51-19-12-21-55-53-16-7-10-24-59(53)69-63(51)55)50-40-34-45(35-41-50)52-20-13-22-56-54-17-8-11-25-60(54)70-64(52)56/h3-41H,1-2H3.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline has a molecular weight of 928.17 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,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline is sourced from PubChem (CID 167352694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).