N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

C65H43NO — CID 122593353

IUPACN-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4cccc6c4oc4ccccc46)c4ccccc4-5)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C65H43NO/c1-3-15-44(16-4-1)45-29-36-51(37-30-45)66(53-40-33-48(34-41-53)55-24-13-18-47-17-7-8-21-54(47)55)52-38-31-46(32-39-52)49-35-42-57-56-22-9-11-26-60(56)65(62(57)43-49,50-19-5-2-6-20-50)61-27-14-25-59-58-23-10-12-28-63(58)67-64(59)61/h1-43H
InChIKeySXZNAILSTHODLP-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.57
Rot. Bonds8

About N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (PubChem CID 122593353) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
PubChem CID122593353
Molecular FormulaC65H43NO
Molecular Weight854.07 g/mol
Exact Mass853.33
IUPAC NameN-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4cccc6c4oc4ccccc46)c4ccccc4-5)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C65H43NO/c1-3-15-44(16-4-1)45-29-36-51(37-30-45)66(53-40-33-48(34-41-53)55-24-13-18-47-17-7-8-21-54(47)55)52-38-31-46(32-39-52)49-35-42-57-56-22-9-11-26-60(56)65(62(57)43-49,50-19-5-2-6-20-50)61-27-14-25-59-58-23-10-12-28-63(58)67-64(59)61/h1-43H
InChIKeySXZNAILSTHODLP-UHFFFAOYSA-N
XLogP17.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022155
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline
CID 67964184
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 159324099
N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine
CID 167566203

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (CID 122593353) is N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4cccc6c4oc4ccccc46)c4ccccc4-5)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The InChIKey is SXZNAILSTHODLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-3-15-44(16-4-1)45-29-36-51(37-30-45)66(53-40-33-48(34-41-53)55-24-13-18-47-17-7-8-21-54(47)55)52-38-31-46(32-39-52)49-35-42-57-56-22-9-11-26-60(56)65(62(57)43-49,50-19-5-2-6-20-50)61-27-14-25-59-58-23-10-12-28-63(58)67-64(59)61/h1-43H.
What are the key properties of N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline has a molecular weight of 854.07 g/mol, XLogP of 17.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 122593353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).