N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline

C63H44N2O — CID 168839404

IUPACN-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
SMILESCC1(C)c2ccc(-c3ccccc3N(c3ccccc3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C63H44N2O/c1-63(2)55-37-35-42(39-54(55)50-36-34-43(40-56(50)63)48-27-17-32-59-61(48)53-26-10-13-31-58(53)65(59)45-21-7-4-8-22-45)47-24-9-12-30-57(47)64(44-19-5-3-6-20-44)46-23-15-18-41(38-46)49-28-16-29-52-51-25-11-14-33-60(51)66-62(49)52/h3-40H,1-2H3
InChIKeyBTBJFBDJCFQLKJ-UHFFFAOYSA-N
MW845.06 g/mol
LogP17.46
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline

N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline (PubChem CID 168839404) has the molecular formula C63H44N2O and a molecular weight of 845.06 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
PubChem CID168839404
Molecular FormulaC63H44N2O
Molecular Weight845.06 g/mol
Exact Mass844.35
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
SMILESCC1(C)c2ccc(-c3ccccc3N(c3ccccc3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C63H44N2O/c1-63(2)55-37-35-42(39-54(55)50-36-34-43(40-56(50)63)48-27-17-32-59-61(48)53-26-10-13-31-58(53)65(59)45-21-7-4-8-22-45)47-24-9-12-30-57(47)64(44-19-5-3-6-20-44)46-23-15-18-41(38-46)49-28-16-29-52-51-25-11-14-33-60(51)66-62(49)52/h3-40H,1-2H3
InChIKeyBTBJFBDJCFQLKJ-UHFFFAOYSA-N
XLogP17.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(4-carbazol-9-ylphenyl)-3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)-N-(4-phenylphenyl)aniline;7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine;N-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine
CID 159106146
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
N-dibenzofuran-4-yl-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 58510703
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline
CID 168839903
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170142720
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine
CID 158626381
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161439456
4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 176609664
7-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 157365296

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline (CID 168839404) is N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline is CC1(C)c2ccc(-c3ccccc3N(c3ccccc3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline?
The InChIKey is BTBJFBDJCFQLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2O/c1-63(2)55-37-35-42(39-54(55)50-36-34-43(40-56(50)63)48-27-17-32-59-61(48)53-26-10-13-31-58(53)65(59)45-21-7-4-8-22-45)47-24-9-12-30-57(47)64(44-19-5-3-6-20-44)46-23-15-18-41(38-46)49-28-16-29-52-51-25-11-14-33-60(51)66-62(49)52/h3-40H,1-2H3.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline?
N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline has a molecular weight of 845.06 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline is sourced from PubChem (CID 168839404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).