N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline

C60H47NO — CID 145355207

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(N(c2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c(-c2ccccc2C)c1C
InChIInChI=1S/C60H47NO/c1-38-14-6-8-16-47(38)49-32-34-56(59(40(49)3)48-17-9-7-15-39(48)2)61(46-30-24-42(25-31-46)44-27-35-58-53(37-44)51-19-11-13-21-57(51)62-58)45-28-22-41(23-29-45)43-26-33-55-52(36-43)50-18-10-12-20-54(50)60(55,4)5/h6-37H,1-5H3
InChIKeyFEQIUJHGNUXDSF-UHFFFAOYSA-N
MW798.04 g/mol
LogP16.96
Rot. Bonds7

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline (PubChem CID 145355207) has the molecular formula C60H47NO and a molecular weight of 798.04 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline
PubChem CID145355207
Molecular FormulaC60H47NO
Molecular Weight798.04 g/mol
Exact Mass797.37
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(N(c2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c(-c2ccccc2C)c1C
InChIInChI=1S/C60H47NO/c1-38-14-6-8-16-47(38)49-32-34-56(59(40(49)3)48-17-9-7-15-39(48)2)61(46-30-24-42(25-31-46)44-27-35-58-53(37-44)51-19-11-13-21-57(51)62-58)45-28-22-41(23-29-45)43-26-33-55-52(36-43)50-18-10-12-20-54(50)60(55,4)5/h6-37H,1-5H3
InChIKeyFEQIUJHGNUXDSF-UHFFFAOYSA-N
XLogP16.96
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.04
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline
CID 118919480
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]fluoren-2-amine
CID 67964272
N-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964245
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 177294550
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281306

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline (CID 145355207) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline is Cc1ccccc1-c1ccc(N(c2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c(-c2ccccc2C)c1C.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline?
The InChIKey is FEQIUJHGNUXDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47NO/c1-38-14-6-8-16-47(38)49-32-34-56(59(40(49)3)48-17-9-7-15-39(48)2)61(46-30-24-42(25-31-46)44-27-35-58-53(37-44)51-19-11-13-21-57(51)62-58)45-28-22-41(23-29-45)43-26-33-55-52(36-43)50-18-10-12-20-54(50)60(55,4)5/h6-37H,1-5H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline has a molecular weight of 798.04 g/mol, XLogP of 16.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline is sourced from PubChem (CID 145355207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).