N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline

C59H43NO2 — CID 168840036

IUPACN,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline
SMILESCc1cc(C)c2c(c1)C(C)(C)c1ccc(-c3cccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c3)cc1-2
InChIInChI=1S/C59H43NO2/c1-36-32-37(2)56-49-35-41(26-31-50(49)59(3,4)51(56)33-36)40-12-9-13-44(34-40)60(42-27-22-38(23-28-42)45-16-10-20-54-57(45)47-14-5-7-18-52(47)61-54)43-29-24-39(25-30-43)46-17-11-21-55-58(46)48-15-6-8-19-53(48)62-55/h5-35H,1-4H3
InChIKeyDZTDMTHUCUAMHI-UHFFFAOYSA-N
MW798.00 g/mol
LogP16.88
Rot. Bonds6

About N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline

N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline (PubChem CID 168840036) has the molecular formula C59H43NO2 and a molecular weight of 798.00 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline
PubChem CID168840036
Molecular FormulaC59H43NO2
Molecular Weight798.00 g/mol
Exact Mass797.33
IUPAC NameN,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline
SMILESCc1cc(C)c2c(c1)C(C)(C)c1ccc(-c3cccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c3)cc1-2
InChIInChI=1S/C59H43NO2/c1-36-32-37(2)56-49-35-41(26-31-50(49)59(3,4)51(56)33-36)40-12-9-13-44(34-40)60(42-27-22-38(23-28-42)45-16-10-20-54-57(45)47-14-5-7-18-52(47)61-54)43-29-24-39(25-30-43)46-17-11-21-55-58(46)48-15-6-8-19-53(48)62-55/h5-35H,1-4H3
InChIKeyDZTDMTHUCUAMHI-UHFFFAOYSA-N
XLogP16.88
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.00
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine
CID 168839898
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
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-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
CID 134392974
N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline
CID 134392877
N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168840177
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine
CID 168839628
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
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,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline?
The IUPAC name of N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline (CID 168840036) is N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline is Cc1cc(C)c2c(c1)C(C)(C)c1ccc(-c3cccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c3)cc1-2.
What is the InChIKey of N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline?
The InChIKey is DZTDMTHUCUAMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO2/c1-36-32-37(2)56-49-35-41(26-31-50(49)59(3,4)51(56)33-36)40-12-9-13-44(34-40)60(42-27-22-38(23-28-42)45-16-10-20-54-57(45)47-14-5-7-18-52(47)61-54)43-29-24-39(25-30-43)46-17-11-21-55-58(46)48-15-6-8-19-53(48)62-55/h5-35H,1-4H3.
What are the key properties of N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline?
N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline has a molecular weight of 798.00 g/mol, XLogP of 16.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline is sourced from PubChem (CID 168840036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).