4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

C67H43NOS — CID 121381304

IUPAC4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H43NOS/c1-2-17-48(18-3-1)67(61-27-8-4-19-55(61)56-20-5-9-28-62(56)67)49-35-41-52(42-36-49)68(51-39-33-45(34-40-51)54-24-14-26-60-58-22-7-11-30-64(58)70-66(54)60)50-37-31-44(32-38-50)46-15-12-16-47(43-46)53-23-13-25-59-57-21-6-10-29-63(57)69-65(53)59/h1-43H
InChIKeyDLFXTLNDUAZMIZ-UHFFFAOYSA-N
MW910.15 g/mol
LogP18.79
Rot. Bonds8

About 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 121381304) has the molecular formula C67H43NOS and a molecular weight of 910.15 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID121381304
Molecular FormulaC67H43NOS
Molecular Weight910.15 g/mol
Exact Mass909.31
IUPAC Name4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H43NOS/c1-2-17-48(18-3-1)67(61-27-8-4-19-55(61)56-20-5-9-28-62(56)67)49-35-41-52(42-36-49)68(51-39-33-45(34-40-51)54-24-14-26-60-58-22-7-11-30-64(58)70-66(54)60)50-37-31-44(32-38-50)46-15-12-16-47(43-46)53-23-13-25-59-57-21-6-10-29-63(57)69-65(53)59/h1-43H
InChIKeyDLFXTLNDUAZMIZ-UHFFFAOYSA-N
XLogP18.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.15
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425117
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 158068867
N-(4-dibenzofuran-4-ylphenyl)-3,5-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161165341
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline
CID 158195164
4-(3-carbazol-9-ylphenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 159240665
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline
CID 159600768
4-dibenzofuran-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 161095184
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 162198372
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169021961
N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 159643698

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (CID 121381304) is 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is c1ccc(C2(c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is DLFXTLNDUAZMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NOS/c1-2-17-48(18-3-1)67(61-27-8-4-19-55(61)56-20-5-9-28-62(56)67)49-35-41-52(42-36-49)68(51-39-33-45(34-40-51)54-24-14-26-60-58-22-7-11-30-64(58)70-66(54)60)50-37-31-44(32-38-50)46-15-12-16-47(43-46)53-23-13-25-59-57-21-6-10-29-63(57)69-65(53)59/h1-43H.
What are the key properties of 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 910.15 g/mol, XLogP of 18.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 121381304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).