N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine

C64H42N2O2 — CID 71126774

IUPACN-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H42N2O2/c1-3-13-43(14-4-1)45-23-29-49(30-24-45)66(50-31-25-46(26-32-50)44-15-5-2-6-16-44)60-40-39-53(54-17-7-8-18-55(54)60)47-27-33-48(34-28-47)65(51-35-37-58-56-19-9-11-21-61(56)67-63(58)41-51)52-36-38-59-57-20-10-12-22-62(57)68-64(59)42-52/h1-42H
InChIKeyQJMUEFOPTGFLRC-UHFFFAOYSA-N
MW871.05 g/mol
LogP18.58
Rot. Bonds9

About N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine (PubChem CID 71126774) has the molecular formula C64H42N2O2 and a molecular weight of 871.05 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
PubChem CID71126774
Molecular FormulaC64H42N2O2
Molecular Weight871.05 g/mol
Exact Mass870.32
IUPAC NameN-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H42N2O2/c1-3-13-43(14-4-1)45-23-29-49(30-24-45)66(50-31-25-46(26-32-50)44-15-5-2-6-16-44)60-40-39-53(54-17-7-8-18-55(54)60)47-27-33-48(34-28-47)65(51-35-37-58-56-19-9-11-21-61(56)67-63(58)41-51)52-36-38-59-57-20-10-12-22-62(57)68-64(59)42-52/h1-42H
InChIKeyQJMUEFOPTGFLRC-UHFFFAOYSA-N
XLogP18.58
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.05
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine (CID 71126774) is N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is QJMUEFOPTGFLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O2/c1-3-13-43(14-4-1)45-23-29-49(30-24-45)66(50-31-25-46(26-32-50)44-15-5-2-6-16-44)60-40-39-53(54-17-7-8-18-55(54)60)47-27-33-48(34-28-47)65(51-35-37-58-56-19-9-11-21-61(56)67-63(58)41-51)52-36-38-59-57-20-10-12-22-62(57)68-64(59)42-52/h1-42H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 871.05 g/mol, XLogP of 18.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 71126774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).