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

C67H45NO — CID 168839679

IUPACN-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C67H45NO/c1-4-20-46(21-5-1)48-23-17-30-54(43-48)68(55-31-18-25-51(44-55)57-35-19-39-65-66(57)59-34-12-15-38-64(59)69-65)63-37-14-11-32-56(63)50-24-16-22-47(42-50)49-40-41-62-60(45-49)58-33-10-13-36-61(58)67(62,52-26-6-2-7-27-52)53-28-8-3-9-29-53/h1-45H
InChIKeyCDGVTNPEXJRDSF-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.09
Rot. Bonds9

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

N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 168839679) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
PubChem CID168839679
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C67H45NO/c1-4-20-46(21-5-1)48-23-17-30-54(43-48)68(55-31-18-25-51(44-55)57-35-19-39-65-66(57)59-34-12-15-38-64(59)69-65)63-37-14-11-32-56(63)50-24-16-22-47(42-50)49-40-41-62-60(45-49)58-33-10-13-36-61(58)67(62,52-26-6-2-7-27-52)53-28-8-3-9-29-53/h1-45H
InChIKeyCDGVTNPEXJRDSF-UHFFFAOYSA-N
XLogP18.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.10
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
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)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-amine
CID 168839481
N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168840177
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
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-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzofuran-4-yl]aniline;N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]aniline;N-phenyl-3-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
CID 163690890
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline (CID 168839679) is N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is CDGVTNPEXJRDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-4-20-46(21-5-1)48-23-17-30-54(43-48)68(55-31-18-25-51(44-55)57-35-19-39-65-66(57)59-34-12-15-38-64(59)69-65)63-37-14-11-32-56(63)50-24-16-22-47(42-50)49-40-41-62-60(45-49)58-33-10-13-36-61(58)67(62,52-26-6-2-7-27-52)53-28-8-3-9-29-53/h1-45H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?
N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline has a molecular weight of 880.10 g/mol, XLogP of 18.09, 9 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-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 168839679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).