N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline

C51H37NO — CID 168840183

IUPACN-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c3)ccc21
InChIInChI=1S/C51H37NO/c1-51(2)46-19-8-6-16-43(46)45-33-38(26-31-47(45)51)37-14-10-15-41(32-37)52(39-27-22-35(23-28-39)34-12-4-3-5-13-34)40-29-24-36(25-30-40)42-18-11-21-49-50(42)44-17-7-9-20-48(44)53-49/h3-33H,1-2H3
InChIKeyXBXLCRDKMQPSCS-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline

N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline (PubChem CID 168840183) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
PubChem CID168840183
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c3)ccc21
InChIInChI=1S/C51H37NO/c1-51(2)46-19-8-6-16-43(46)45-33-38(26-31-47(45)51)37-14-10-15-41(32-37)52(39-27-22-35(23-28-39)34-12-4-3-5-13-34)40-29-24-36(25-30-40)42-18-11-21-49-50(42)44-17-7-9-20-48(44)53-49/h3-33H,1-2H3
InChIKeyXBXLCRDKMQPSCS-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168840177
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
CID 134392974
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 168840146

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline (CID 168840183) is N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c3)ccc21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is XBXLCRDKMQPSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)46-19-8-6-16-43(46)45-33-38(26-31-47(45)51)37-14-10-15-41(32-37)52(39-27-22-35(23-28-39)34-12-4-3-5-13-34)40-29-24-36(25-30-40)42-18-11-21-49-50(42)44-17-7-9-20-48(44)53-49/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 679.86 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 168840183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).