N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

C68H45NO — CID 168847779

IUPACN-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C68H45NO/c1-3-18-48(19-4-1)58-32-17-34-61(66(58)51-22-5-2-6-23-51)59-29-12-11-28-57(59)50-38-42-53(43-39-50)69(52-40-36-49(37-41-52)55-31-15-24-46-20-7-9-26-54(46)55)64-45-44-62(60-33-16-25-47-21-8-10-27-56(47)60)68-67(64)63-30-13-14-35-65(63)70-68/h1-45H
InChIKeySJOFJXCWWGGBEM-UHFFFAOYSA-N
MW892.11 g/mol
LogP19.36
Rot. Bonds9

About N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 168847779) has the molecular formula C68H45NO and a molecular weight of 892.11 g/mol. Its IUPAC name is N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
PubChem CID168847779
Molecular FormulaC68H45NO
Molecular Weight892.11 g/mol
Exact Mass891.35
IUPAC NameN-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C68H45NO/c1-3-18-48(19-4-1)58-32-17-34-61(66(58)51-22-5-2-6-23-51)59-29-12-11-28-57(59)50-38-42-53(43-39-50)69(52-40-36-49(37-41-52)55-31-15-24-46-20-7-9-26-54(46)55)64-45-44-62(60-33-16-25-47-21-8-10-27-56(47)60)68-67(64)63-30-13-14-35-65(63)70-68/h1-45H
InChIKeySJOFJXCWWGGBEM-UHFFFAOYSA-N
XLogP19.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.11
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168848033
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847848
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848045
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168847695
N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-4-yl-4-phenyldibenzofuran-1-amine
CID 176821420
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (CID 168847779) is N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is SJOFJXCWWGGBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO/c1-3-18-48(19-4-1)58-32-17-34-61(66(58)51-22-5-2-6-23-51)59-29-12-11-28-57(59)50-38-42-53(43-39-50)69(52-40-36-49(37-41-52)55-31-15-24-46-20-7-9-26-54(46)55)64-45-44-62(60-33-16-25-47-21-8-10-27-56(47)60)68-67(64)63-30-13-14-35-65(63)70-68/h1-45H.
What are the key properties of N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine has a molecular weight of 892.11 g/mol, XLogP of 19.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 168847779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).