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

C62H41NO — CID 168847848

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C62H41NO/c1-2-16-44(17-3-1)53-40-41-59(61-58-28-12-13-31-60(58)64-62(53)61)63(47-36-32-45(33-37-47)50-29-14-20-42-18-4-6-22-49(42)50)48-38-34-46(35-39-48)52-24-8-9-25-54(52)56-26-10-11-27-57(56)55-30-15-21-43-19-5-7-23-51(43)55/h1-41H
InChIKeyXSPPXCVLQSXYCW-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.70
Rot. Bonds8

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

N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine (PubChem CID 168847848) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
PubChem CID168847848
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C62H41NO/c1-2-16-44(17-3-1)53-40-41-59(61-58-28-12-13-31-60(58)64-62(53)61)63(47-36-32-45(33-37-47)50-29-14-20-42-18-4-6-22-49(42)50)48-38-34-46(35-39-48)52-24-8-9-25-54(52)56-26-10-11-27-57(56)55-30-15-21-43-19-5-7-23-51(43)55/h1-41H
InChIKeyXSPPXCVLQSXYCW-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.70
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
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]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 168847779
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-(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
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-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
4-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069235
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine (CID 168847848) is N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine?
The InChIKey is XSPPXCVLQSXYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-2-16-44(17-3-1)53-40-41-59(61-58-28-12-13-31-60(58)64-62(53)61)63(47-36-32-45(33-37-47)50-29-14-20-42-18-4-6-22-49(42)50)48-38-34-46(35-39-48)52-24-8-9-25-54(52)56-26-10-11-27-57(56)55-30-15-21-43-19-5-7-23-51(43)55/h1-41H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine is sourced from PubChem (CID 168847848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).