N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline

C73H49NO — CID 160590087

IUPACN-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C73H49NO/c1-5-21-50(22-6-1)54-47-55(51-23-7-2-8-24-51)49-56(48-54)52-39-43-59(44-40-52)74(60-45-41-53(42-46-60)61-32-20-38-70-72(61)65-31-15-18-37-69(65)75-70)68-36-17-14-29-62(68)63-33-19-35-67-71(63)64-30-13-16-34-66(64)73(67,57-25-9-3-10-26-57)58-27-11-4-12-28-58/h1-49H
InChIKeyRKDUEPOLWGCJPZ-UHFFFAOYSA-N
MW956.20 g/mol
LogP19.75
Rot. Bonds10

About N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline

N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline (PubChem CID 160590087) has the molecular formula C73H49NO and a molecular weight of 956.20 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
PubChem CID160590087
Molecular FormulaC73H49NO
Molecular Weight956.20 g/mol
Exact Mass955.38
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C73H49NO/c1-5-21-50(22-6-1)54-47-55(51-23-7-2-8-24-51)49-56(48-54)52-39-43-59(44-40-52)74(60-45-41-53(42-46-60)61-32-20-38-70-72(61)65-31-15-18-37-69(65)75-70)68-36-17-14-29-62(68)63-33-19-35-67-71(63)64-30-13-16-34-66(64)73(67,57-25-9-3-10-26-57)58-27-11-4-12-28-58/h1-49H
InChIKeyRKDUEPOLWGCJPZ-UHFFFAOYSA-N
XLogP19.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.20
LogP ≤ 519.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 162254274
N-(2-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 157325152
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
3-dibenzofuran-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 159108609
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161457556
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161297383
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839679
N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 169019837
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline;2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 157436588
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline (CID 160590087) is N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?
The InChIKey is RKDUEPOLWGCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49NO/c1-5-21-50(22-6-1)54-47-55(51-23-7-2-8-24-51)49-56(48-54)52-39-43-59(44-40-52)74(60-45-41-53(42-46-60)61-32-20-38-70-72(61)65-31-15-18-37-69(65)75-70)68-36-17-14-29-62(68)63-33-19-35-67-71(63)64-30-13-16-34-66(64)73(67,57-25-9-3-10-26-57)58-27-11-4-12-28-58/h1-49H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline has a molecular weight of 956.20 g/mol, XLogP of 19.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline is sourced from PubChem (CID 160590087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).