N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine

C64H43NO — CID 168848045

IUPACN-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-3-15-44(16-4-1)45-29-31-49(32-30-45)56-24-9-10-25-57(56)50-35-39-54(40-36-50)65(61-42-41-59(48-17-5-2-6-18-48)64-63(61)60-26-11-12-28-62(60)66-64)53-37-33-46(34-38-53)51-21-13-22-52(43-51)58-27-14-20-47-19-7-8-23-55(47)58/h1-43H
InChIKeyKSKAMGNRMFCRJD-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

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

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 168848045) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID168848045
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-3-15-44(16-4-1)45-29-31-49(32-30-45)56-24-9-10-25-57(56)50-35-39-54(40-36-50)65(61-42-41-59(48-17-5-2-6-18-48)64-63(61)60-26-11-12-28-62(60)66-64)53-37-33-46(34-38-53)51-21-13-22-52(43-51)58-27-14-20-47-19-7-8-23-55(47)58/h1-43H
InChIKeyKSKAMGNRMFCRJD-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092
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
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338
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]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168848033
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168847734
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-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine (CID 168848045) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is KSKAMGNRMFCRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-3-15-44(16-4-1)45-29-31-49(32-30-45)56-24-9-10-25-57(56)50-35-39-54(40-36-50)65(61-42-41-59(48-17-5-2-6-18-48)64-63(61)60-26-11-12-28-62(60)66-64)53-37-33-46(34-38-53)51-21-13-22-52(43-51)58-27-14-20-47-19-7-8-23-55(47)58/h1-43H.
What are the key properties of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 168848045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).