N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline

C65H46N2O — CID 167352692

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline
SMILESCC1(C)c2ccccc2-c2c1c(-c1ccccc1)n(-c1ccccc1)c2-c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C65H46N2O/c1-65(2)58-29-13-11-25-57(58)60-61(65)63(46-18-5-3-6-19-46)67(48-21-7-4-8-22-48)62(60)47-35-41-51(42-36-47)66(49-37-31-44(32-38-49)53-26-15-20-43-17-9-10-23-52(43)53)50-39-33-45(34-40-50)54-27-16-28-56-55-24-12-14-30-59(55)68-64(54)56/h3-42H,1-2H3
InChIKeyCZECXQBEJZLCCK-UHFFFAOYSA-N
MW871.10 g/mol
LogP17.97
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline (PubChem CID 167352692) has the molecular formula C65H46N2O and a molecular weight of 871.10 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline
PubChem CID167352692
Molecular FormulaC65H46N2O
Molecular Weight871.10 g/mol
Exact Mass870.36
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline
SMILESCC1(C)c2ccccc2-c2c1c(-c1ccccc1)n(-c1ccccc1)c2-c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C65H46N2O/c1-65(2)58-29-13-11-25-57(58)60-61(65)63(46-18-5-3-6-19-46)67(48-21-7-4-8-22-48)62(60)47-35-41-51(42-36-47)66(49-37-31-44(32-38-49)53-26-15-20-43-17-9-10-23-52(43)53)50-39-33-45(34-40-50)54-27-16-28-56-55-24-12-14-30-59(55)68-64(54)56/h3-42H,1-2H3
InChIKeyCZECXQBEJZLCCK-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.10
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168840185
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161386927
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
CID 169285507
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 67964256
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline
CID 167352694
4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline
CID 167232184
N-(4-dibenzofuran-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-3-amine
CID 139571792
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline (CID 167352692) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline is CC1(C)c2ccccc2-c2c1c(-c1ccccc1)n(-c1ccccc1)c2-c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline?
The InChIKey is CZECXQBEJZLCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2O/c1-65(2)58-29-13-11-25-57(58)60-61(65)63(46-18-5-3-6-19-46)67(48-21-7-4-8-22-48)62(60)47-35-41-51(42-36-47)66(49-37-31-44(32-38-49)53-26-15-20-43-17-9-10-23-52(43)53)50-39-33-45(34-40-50)54-27-16-28-56-55-24-12-14-30-59(55)68-64(54)56/h3-42H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline has a molecular weight of 871.10 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4,4-dimethyl-2,3-diphenylindeno[1,2-c]pyrrol-1-yl)phenyl]-4-naphthalen-1-ylaniline is sourced from PubChem (CID 167352692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).