N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline

C57H41NO — CID 168839701

IUPACN-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cccc5oc6ccccc6c45)c3)ccc21
InChIInChI=1S/C57H41NO/c1-57(2)51-29-11-8-25-47(51)50-37-41(33-34-52(50)57)44-23-6-7-24-46(44)48-26-9-12-30-53(48)58(42-21-14-19-39(35-42)38-17-4-3-5-18-38)43-22-15-20-40(36-43)45-28-16-32-55-56(45)49-27-10-13-31-54(49)59-55/h3-37H,1-2H3
InChIKeyLRGNCJOAZIAHQN-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.03
Rot. Bonds7

About N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline

N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 168839701) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
PubChem CID168839701
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cccc5oc6ccccc6c45)c3)ccc21
InChIInChI=1S/C57H41NO/c1-57(2)51-29-11-8-25-47(51)50-37-41(33-34-52(50)57)44-23-6-7-24-46(44)48-26-9-12-30-53(48)58(42-21-14-19-39(35-42)38-17-4-3-5-18-38)43-22-15-20-40(36-43)45-28-16-32-55-56(45)49-27-10-13-31-54(49)59-55/h3-37H,1-2H3
InChIKeyLRGNCJOAZIAHQN-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 516.03
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)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839679
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069498
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503032
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine
CID 164934333
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
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-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143107

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline (CID 168839701) is N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline is CC1(C)c2ccccc2-c2cc(-c3ccccc3-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cccc5oc6ccccc6c45)c3)ccc21.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is LRGNCJOAZIAHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-57(2)51-29-11-8-25-47(51)50-37-41(33-34-52(50)57)44-23-6-7-24-46(44)48-26-9-12-30-53(48)58(42-21-14-19-39(35-42)38-17-4-3-5-18-38)43-22-15-20-40(36-43)45-28-16-32-55-56(45)49-27-10-13-31-54(49)59-55/h3-37H,1-2H3.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline has a molecular weight of 755.96 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 168839701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).