4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline

C45H33NO — CID 140919277

IUPAC4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C45H33NO/c1-45(2)41-19-11-9-17-36(41)37-26-23-31(29-42(37)45)32-27-39(44-40(28-32)38-18-10-12-20-43(38)47-44)30-21-24-35(25-22-30)46(33-13-5-3-6-14-33)34-15-7-4-8-16-34/h3-29H,1-2H3
InChIKeyHFJCZIRYMAIXFU-UHFFFAOYSA-N
MW603.77 g/mol
LogP12.70
Rot. Bonds5

About 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline

4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline (PubChem CID 140919277) has the molecular formula C45H33NO and a molecular weight of 603.77 g/mol. Its IUPAC name is 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
PubChem CID140919277
Molecular FormulaC45H33NO
Molecular Weight603.77 g/mol
Exact Mass603.26
IUPAC Name4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C45H33NO/c1-45(2)41-19-11-9-17-36(41)37-26-23-31(29-42(37)45)32-27-39(44-40(28-32)38-18-10-12-20-43(38)47-44)30-21-24-35(25-22-30)46(33-13-5-3-6-14-33)34-15-7-4-8-16-34/h3-29H,1-2H3
InChIKeyHFJCZIRYMAIXFU-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-N,4-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162204343
N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 140919467
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105
9,9-dimethyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919240
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[3-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139554045
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 70808668
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline (CID 140919277) is 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4oc5ccccc5c4c3)cc21.
What is the InChIKey of 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline?
The InChIKey is HFJCZIRYMAIXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO/c1-45(2)41-19-11-9-17-36(41)37-26-23-31(29-42(37)45)32-27-39(44-40(28-32)38-18-10-12-20-43(38)47-44)30-21-24-35(25-22-30)46(33-13-5-3-6-14-33)34-15-7-4-8-16-34/h3-29H,1-2H3.
What are the key properties of 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline?
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline has a molecular weight of 603.77 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline is sourced from PubChem (CID 140919277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).