4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine

C68H45NO — CID 168848086

IUPAC4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C68H45NO/c1-2-14-46(15-3-1)47-28-32-52(33-29-47)58-21-8-9-22-59(58)54-38-42-56(43-39-54)69(55-40-36-49(37-41-55)48-30-34-53(35-31-48)60-25-12-18-50-16-4-6-20-57(50)60)65-45-44-63(62-26-13-19-51-17-5-7-23-61(51)62)68-67(65)64-24-10-11-27-66(64)70-68/h1-45H
InChIKeyDUPIYUOIKRORDG-UHFFFAOYSA-N
MW892.11 g/mol
LogP19.36
Rot. Bonds9

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

4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 168848086) has the molecular formula C68H45NO and a molecular weight of 892.11 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID168848086
Molecular FormulaC68H45NO
Molecular Weight892.11 g/mol
Exact Mass891.35
IUPAC Name4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C68H45NO/c1-2-14-46(15-3-1)47-28-32-52(33-29-47)58-21-8-9-22-59(58)54-38-42-56(43-39-54)69(55-40-36-49(37-41-55)48-30-34-53(35-31-48)60-25-12-18-50-16-4-6-20-57(50)60)65-45-44-63(62-26-13-19-51-17-5-7-23-61(51)62)68-67(65)64-24-10-11-27-66(64)70-68/h1-45H
InChIKeyDUPIYUOIKRORDG-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-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847848
N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 168847779
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168847695
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848045
N-[4-[2-(2,3-diphenylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168848033
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-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069623
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine (CID 168848086) is 4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccccc3-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is DUPIYUOIKRORDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO/c1-2-14-46(15-3-1)47-28-32-52(33-29-47)58-21-8-9-22-59(58)54-38-42-56(43-39-54)69(55-40-36-49(37-41-55)48-30-34-53(35-31-48)60-25-12-18-50-16-4-6-20-57(50)60)65-45-44-63(62-26-13-19-51-17-5-7-23-61(51)62)68-67(65)64-24-10-11-27-66(64)70-68/h1-45H.
What are the key properties of 4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]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 4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 168848086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).