7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C171H117N3O3S3 — CID 159025107

IUPAC7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)s3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)s5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)s4)cc3)cc2)cc1
InChIInChI=1S/C61H43NOS.C58H39NOS.C52H35NOS/c1-61(2)55-38-47(60-36-35-59(64-60)45-19-17-44(18-20-45)46-26-34-58-54(37-46)53-15-9-10-16-57(53)63-58)25-32-51(55)52-33-31-50(39-56(52)61)62(48-27-21-42(22-28-48)40-11-5-3-6-12-40)49-29-23-43(24-30-49)41-13-7-4-8-14-41;1-3-9-40(10-4-1)43-23-30-50(31-24-43)59(51-32-25-44(26-33-51)41-11-5-2-6-12-41)52-34-27-45(28-35-52)42-15-19-47(20-16-42)57-37-38-58(61-57)48-21-17-46(18-22-48)49-29-36-56-54(39-49)53-13-7-8-14-55(53)60-56;1-3-9-36(10-4-1)38-19-26-44(27-20-38)53(45-28-21-39(22-29-45)37-11-5-2-6-12-37)46-30-23-42(24-31-46)52-34-33-51(55-52)41-17-15-40(16-18-41)43-25-32-50-48(35-43)47-13-7-8-14-49(47)54-50/h3-39H,1-2H3;1-39H;1-35H
InChIKeyJUELNFSMKQJISZ-UHFFFAOYSA-N
MW2358.04 g/mol
LogP50.33
Rot. Bonds25

About 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 159025107) has the molecular formula C171H117N3O3S3 and a molecular weight of 2358.04 g/mol. Its IUPAC name is 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID159025107
Molecular FormulaC171H117N3O3S3
Molecular Weight2358.04 g/mol
Exact Mass2355.83
IUPAC Name7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)s3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)s5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)s4)cc3)cc2)cc1
InChIInChI=1S/C61H43NOS.C58H39NOS.C52H35NOS/c1-61(2)55-38-47(60-36-35-59(64-60)45-19-17-44(18-20-45)46-26-34-58-54(37-46)53-15-9-10-16-57(53)63-58)25-32-51(55)52-33-31-50(39-56(52)61)62(48-27-21-42(22-28-48)40-11-5-3-6-12-40)49-29-23-43(24-30-49)41-13-7-4-8-14-41;1-3-9-40(10-4-1)43-23-30-50(31-24-43)59(51-32-25-44(26-33-51)41-11-5-2-6-12-41)52-34-27-45(28-35-52)42-15-19-47(20-16-42)57-37-38-58(61-57)48-21-17-46(18-22-48)49-29-36-56-54(39-49)53-13-7-8-14-55(53)60-56;1-3-9-36(10-4-1)38-19-26-44(27-20-38)53(45-28-21-39(22-29-45)37-11-5-2-6-12-37)46-30-23-42(24-31-46)52-34-33-51(55-52)41-17-15-40(16-18-41)43-25-32-50-48(35-43)47-13-7-8-14-49(47)54-50/h3-39H,1-2H3;1-39H;1-35H
InChIKeyJUELNFSMKQJISZ-UHFFFAOYSA-N
XLogP50.33
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms180
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002358.04
LogP ≤ 550.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 159025107) is 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)s3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)s5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)s4)cc3)cc2)cc1.
What is the InChIKey of 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is JUELNFSMKQJISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NOS.C58H39NOS.C52H35NOS/c1-61(2)55-38-47(60-36-35-59(64-60)45-19-17-44(18-20-45)46-26-34-58-54(37-46)53-15-9-10-16-57(53)63-58)25-32-51(55)52-33-31-50(39-56(52)61)62(48-27-21-42(22-28-48)40-11-5-3-6-12-40)49-29-23-43(24-30-49)41-13-7-4-8-14-41;1-3-9-40(10-4-1)43-23-30-50(31-24-43)59(51-32-25-44(26-33-51)41-11-5-2-6-12-41)52-34-27-45(28-35-52)42-15-19-47(20-16-42)57-37-38-58(61-57)48-21-17-46(18-22-48)49-29-36-56-54(39-49)53-13-7-8-14-55(53)60-56;1-3-9-36(10-4-1)38-19-26-44(27-20-38)53(45-28-21-39(22-29-45)37-11-5-2-6-12-37)46-30-23-42(24-31-46)52-34-33-51(55-52)41-17-15-40(16-18-41)43-25-32-50-48(35-43)47-13-7-8-14-49(47)54-50/h3-39H,1-2H3;1-39H;1-35H.
What are the key properties of 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 2358.04 g/mol, XLogP of 50.33, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 159025107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).