N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine

C68H45NO — CID 168848092

IUPACN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4cccc5ccccc45)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C68H45NO/c1-2-16-50(17-3-1)59-44-45-65(67-64-28-12-13-31-66(64)70-68(59)67)69(53-40-36-47(37-41-53)46-32-34-51(35-33-46)56-29-14-20-48-18-4-6-22-55(48)56)54-42-38-52(39-43-54)58-24-8-9-25-60(58)62-26-10-11-27-63(62)61-30-15-21-49-19-5-7-23-57(49)61/h1-45H
InChIKeyZIFYEKLUSOHTTL-UHFFFAOYSA-N
MW892.11 g/mol
LogP19.36
Rot. Bonds9

About N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine (PubChem CID 168848092) has the molecular formula C68H45NO and a molecular weight of 892.11 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
PubChem CID168848092
Molecular FormulaC68H45NO
Molecular Weight892.11 g/mol
Exact Mass891.35
IUPAC NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4cccc5ccccc45)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C68H45NO/c1-2-16-50(17-3-1)59-44-45-65(67-64-28-12-13-31-66(64)70-68(59)67)69(53-40-36-47(37-41-53)46-32-34-51(35-33-46)56-29-14-20-48-18-4-6-22-55(48)56)54-42-38-52(39-43-54)58-24-8-9-25-60(58)62-26-10-11-27-63(62)61-30-15-21-49-19-5-7-23-57(49)61/h1-45H
InChIKeyZIFYEKLUSOHTTL-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-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847848
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-[2-(2,3-diphenylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168848033
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-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
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]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-4-yl-4-phenyldibenzofuran-1-amine
CID 176821420
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine (CID 168848092) is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4cccc5ccccc45)cc3)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine?
The InChIKey is ZIFYEKLUSOHTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO/c1-2-16-50(17-3-1)59-44-45-65(67-64-28-12-13-31-66(64)70-68(59)67)69(53-40-36-47(37-41-53)46-32-34-51(35-33-46)56-29-14-20-48-18-4-6-22-55(48)56)54-42-38-52(39-43-54)58-24-8-9-25-60(58)62-26-10-11-27-63(62)61-30-15-21-49-19-5-7-23-57(49)61/h1-45H.
What are the key properties of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine?
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-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-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine is sourced from PubChem (CID 168848092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).