2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C61H43NO — CID 170139876

IUPAC2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cccc21
InChIInChI=1S/C61H43NO/c1-61(2)53-28-10-6-24-52(53)60-51(27-16-29-54(60)61)48-22-8-12-31-56(48)62(55-30-11-7-21-45(55)43-35-38-50-49-23-9-13-32-57(49)63-58(50)39-43)44-36-33-41(34-37-44)47-26-15-20-42-19-14-25-46(59(42)47)40-17-4-3-5-18-40/h3-39H,1-2H3
InChIKeyQQQBRASLRVQJFN-UHFFFAOYSA-N
MW806.02 g/mol
LogP17.18
Rot. Bonds7

About 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170139876) has the molecular formula C61H43NO and a molecular weight of 806.02 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170139876
Molecular FormulaC61H43NO
Molecular Weight806.02 g/mol
Exact Mass805.33
IUPAC Name2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cccc21
InChIInChI=1S/C61H43NO/c1-61(2)53-28-10-6-24-52(53)60-51(27-16-29-54(60)61)48-22-8-12-31-56(48)62(55-30-11-7-21-45(55)43-35-38-50-49-23-9-13-32-57(49)63-58(50)39-43)44-36-33-41(34-37-44)47-26-15-20-42-19-14-25-46(59(42)47)40-17-4-3-5-18-40/h3-39H,1-2H3
InChIKeyQQQBRASLRVQJFN-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.02
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170138885
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 170141284
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170134948
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302488
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294769

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170139876) is 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cccc21.
What is the InChIKey of 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is QQQBRASLRVQJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NO/c1-61(2)53-28-10-6-24-52(53)60-51(27-16-29-54(60)61)48-22-8-12-31-56(48)62(55-30-11-7-21-45(55)43-35-38-50-49-23-9-13-32-57(49)63-58(50)39-43)44-36-33-41(34-37-44)47-26-15-20-42-19-14-25-46(59(42)47)40-17-4-3-5-18-40/h3-39H,1-2H3.
What are the key properties of 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 806.02 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170139876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).