N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline

C73H49NO — CID 156827028

IUPACN-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cccc(N(c6ccccc6)c6ccc(-c7cccc8oc9ccccc9c78)cc6)c5)ccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C73H49NO/c1-6-20-50(21-7-1)56-44-57(51-22-8-2-9-23-51)46-58(45-56)55-39-43-69-67(49-55)66-48-54(38-42-68(66)73(69,59-25-10-3-11-26-59)60-27-12-4-13-28-60)53-24-18-31-63(47-53)74(61-29-14-5-15-30-61)62-40-36-52(37-41-62)64-33-19-35-71-72(64)65-32-16-17-34-70(65)75-71/h1-49H
InChIKeyRPLIZGVXLSIXBP-UHFFFAOYSA-N
MW956.20 g/mol
LogP19.75
Rot. Bonds10

About N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline

N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline (PubChem CID 156827028) has the molecular formula C73H49NO and a molecular weight of 956.20 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
PubChem CID156827028
Molecular FormulaC73H49NO
Molecular Weight956.20 g/mol
Exact Mass955.38
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cccc(N(c6ccccc6)c6ccc(-c7cccc8oc9ccccc9c78)cc6)c5)ccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C73H49NO/c1-6-20-50(21-7-1)56-44-57(51-22-8-2-9-23-51)46-58(45-56)55-39-43-69-67(49-55)66-48-54(38-42-68(66)73(69,59-25-10-3-11-26-59)60-27-12-4-13-28-60)53-24-18-31-63(47-53)74(61-29-14-5-15-30-61)62-40-36-52(37-41-62)64-33-19-35-71-72(64)65-32-16-17-34-70(65)75-71/h1-49H
InChIKeyRPLIZGVXLSIXBP-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)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168840177
N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839679
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159727177
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline (CID 156827028) is N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cccc(N(c6ccccc6)c6ccc(-c7cccc8oc9ccccc9c78)cc6)c5)ccc3C4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline?
The InChIKey is RPLIZGVXLSIXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49NO/c1-6-20-50(21-7-1)56-44-57(51-22-8-2-9-23-51)46-58(45-56)55-39-43-69-67(49-55)66-48-54(38-42-68(66)73(69,59-25-10-3-11-26-59)60-27-12-4-13-28-60)53-24-18-31-63(47-53)74(61-29-14-5-15-30-61)62-40-36-52(37-41-62)64-33-19-35-71-72(64)65-32-16-17-34-70(65)75-71/h1-49H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline?
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline 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)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline is sourced from PubChem (CID 156827028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).