N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline

C165H119N3OS2 — CID 159251847

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)ccc21
InChIInChI=1S/C57H41NO.C57H41NS.C51H37NS/c2*1-57(2)53-22-11-9-18-49(53)52-37-42(28-33-54(52)57)40-24-29-45(30-25-40)58(47-35-43(38-14-5-3-6-15-38)34-44(36-47)39-16-7-4-8-17-39)46-31-26-41(27-32-46)48-20-13-21-51-50-19-10-12-23-55(50)59-56(48)51;1-51(2)47-17-8-6-13-43(47)46-33-38(25-32-48(46)51)36-21-28-40(29-22-36)52(39-26-19-35(20-27-39)34-11-4-3-5-12-34)41-30-23-37(24-31-41)42-15-10-16-45-44-14-7-9-18-49(44)53-50(42)45/h2*3-37H,1-2H3;3-33H,1-2H3
InChIKeyKVJXOOQTZLKXLJ-UHFFFAOYSA-N
MW2223.92 g/mol
LogP47.36
Rot. Bonds20

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline (PubChem CID 159251847) has the molecular formula C165H119N3OS2 and a molecular weight of 2223.92 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
PubChem CID159251847
Molecular FormulaC165H119N3OS2
Molecular Weight2223.92 g/mol
Exact Mass2221.88
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)ccc21
InChIInChI=1S/C57H41NO.C57H41NS.C51H37NS/c2*1-57(2)53-22-11-9-18-49(53)52-37-42(28-33-54(52)57)40-24-29-45(30-25-40)58(47-35-43(38-14-5-3-6-15-38)34-44(36-47)39-16-7-4-8-17-39)46-31-26-41(27-32-46)48-20-13-21-51-50-19-10-12-23-55(50)59-56(48)51;1-51(2)47-17-8-6-13-43(47)46-33-38(25-32-48(46)51)36-21-28-40(29-22-36)52(39-26-19-35(20-27-39)34-11-4-3-5-12-34)41-30-23-37(24-31-41)42-15-10-16-45-44-14-7-9-18-49(44)53-50(42)45/h2*3-37H,1-2H3;3-33H,1-2H3
InChIKeyKVJXOOQTZLKXLJ-UHFFFAOYSA-N
XLogP47.36
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002223.92
LogP ≤ 547.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline with MolForge

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Related Compounds

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-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139556418
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425117
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 160610826
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)-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-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160559778
N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline
CID 168839723
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline
CID 170278959
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline (CID 159251847) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)ccc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline?
The InChIKey is KVJXOOQTZLKXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO.C57H41NS.C51H37NS/c2*1-57(2)53-22-11-9-18-49(53)52-37-42(28-33-54(52)57)40-24-29-45(30-25-40)58(47-35-43(38-14-5-3-6-15-38)34-44(36-47)39-16-7-4-8-17-39)46-31-26-41(27-32-46)48-20-13-21-51-50-19-10-12-23-55(50)59-56(48)51;1-51(2)47-17-8-6-13-43(47)46-33-38(25-32-48(46)51)36-21-28-40(29-22-36)52(39-26-19-35(20-27-39)34-11-4-3-5-12-34)41-30-23-37(24-31-41)42-15-10-16-45-44-14-7-9-18-49(44)53-50(42)45/h2*3-37H,1-2H3;3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline has a molecular weight of 2223.92 g/mol, XLogP of 47.36, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 159251847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).