N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline

C57H39NO2 — CID 134392974

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C57H39NO2/c1-57(2)50-33-26-40(35-49(50)46-31-32-47-45-16-6-8-19-51(45)60-56(47)55(46)57)37-22-27-41(28-23-37)58(43-15-10-14-39(34-43)36-12-4-3-5-13-36)42-29-24-38(25-30-42)44-18-11-21-53-54(44)48-17-7-9-20-52(48)59-53/h3-35H,1-2H3
InChIKeyQSDXZGRHGNDDSX-UHFFFAOYSA-N
MW769.94 g/mol
LogP16.26
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline (PubChem CID 134392974) has the molecular formula C57H39NO2 and a molecular weight of 769.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
PubChem CID134392974
Molecular FormulaC57H39NO2
Molecular Weight769.94 g/mol
Exact Mass769.30
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C57H39NO2/c1-57(2)50-33-26-40(35-49(50)46-31-32-47-45-16-6-8-19-51(45)60-56(47)55(46)57)37-22-27-41(28-23-37)58(43-15-10-14-39(34-43)36-12-4-3-5-13-36)42-29-24-38(25-30-42)44-18-11-21-53-54(44)48-17-7-9-20-52(48)59-53/h3-35H,1-2H3
InChIKeyQSDXZGRHGNDDSX-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.94
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
CID 163434632
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328
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-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline (CID 134392974) is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline is CC1(C)c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2-c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline?
The InChIKey is QSDXZGRHGNDDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO2/c1-57(2)50-33-26-40(35-49(50)46-31-32-47-45-16-6-8-19-51(45)60-56(47)55(46)57)37-22-27-41(28-23-37)58(43-15-10-14-39(34-43)36-12-4-3-5-13-36)42-29-24-38(25-30-42)44-18-11-21-53-54(44)48-17-7-9-20-52(48)59-53/h3-35H,1-2H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline?
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline has a molecular weight of 769.94 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline is sourced from PubChem (CID 134392974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).