4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline

C65H43NO2 — CID 177121652

IUPAC4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cc3)cccc21
InChIInChI=1S/C65H43NO2/c1-65(2)58-22-8-7-16-57(58)60-48(17-11-23-59(60)65)42-24-32-45(33-25-42)66(46-34-26-43(27-35-46)51-18-9-20-53-55-38-30-40-12-3-5-14-49(40)63(55)67-61(51)53)47-36-28-44(29-37-47)52-19-10-21-54-56-39-31-41-13-4-6-15-50(41)64(56)68-62(52)54/h3-39H,1-2H3
InChIKeyGLFNQRJAOFCGIJ-UHFFFAOYSA-N
MW870.06 g/mol
LogP18.57
Rot. Bonds6

About 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline

4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline (PubChem CID 177121652) has the molecular formula C65H43NO2 and a molecular weight of 870.06 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
PubChem CID177121652
Molecular FormulaC65H43NO2
Molecular Weight870.06 g/mol
Exact Mass869.33
IUPAC Name4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cc3)cccc21
InChIInChI=1S/C65H43NO2/c1-65(2)58-22-8-7-16-57(58)60-48(17-11-23-59(60)65)42-24-32-45(33-25-42)66(46-34-26-43(27-35-46)51-18-9-20-53-55-38-30-40-12-3-5-14-49(40)63(55)67-61(51)53)47-36-28-44(29-37-47)52-19-10-21-54-56-39-31-41-13-4-6-15-50(41)64(56)68-62(52)54/h3-39H,1-2H3
InChIKeyGLFNQRJAOFCGIJ-UHFFFAOYSA-N
XLogP18.57
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.06
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121861
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122137
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121792
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylfluoren-2-amine
CID 130466783
N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121543
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121720
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170137694
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzofuran-1-amine
CID 177121656

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
The IUPAC name of 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline (CID 177121652) is 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cc3)cccc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
The InChIKey is GLFNQRJAOFCGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO2/c1-65(2)58-22-8-7-16-57(58)60-48(17-11-23-59(60)65)42-24-32-45(33-25-42)66(46-34-26-43(27-35-46)51-18-9-20-53-55-38-30-40-12-3-5-14-49(40)63(55)67-61(51)53)47-36-28-44(29-37-47)52-19-10-21-54-56-39-31-41-13-4-6-15-50(41)64(56)68-62(52)54/h3-39H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline has a molecular weight of 870.06 g/mol, XLogP of 18.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline is sourced from PubChem (CID 177121652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).