N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline

C56H37NO — CID 174274045

IUPACN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccccc2-c2cccc3c2oc2c4ccccc4ccc32)cc1
InChIInChI=1S/C56H37NO/c1-2-15-40(16-3-1)47-23-8-10-29-53(47)57(44-34-31-38(32-35-44)42-20-12-21-43(37-42)46-26-13-19-39-17-4-6-22-45(39)46)54-30-11-9-25-49(54)50-27-14-28-51-52-36-33-41-18-5-7-24-48(41)55(52)58-56(50)51/h1-37H
InChIKeyXJTDZLIOEKHSCQ-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline (PubChem CID 174274045) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline
PubChem CID174274045
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccccc2-c2cccc3c2oc2c4ccccc4ccc32)cc1
InChIInChI=1S/C56H37NO/c1-2-15-40(16-3-1)47-23-8-10-29-53(47)57(44-34-31-38(32-35-44)42-20-12-21-43(37-42)46-26-13-19-39-17-4-6-22-45(39)46)54-30-11-9-25-49(54)50-27-14-28-51-52-36-33-41-18-5-7-24-48(41)55(52)58-56(50)51/h1-37H
InChIKeyXJTDZLIOEKHSCQ-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 174274854
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739651
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167329435
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline
CID 174274328
N-(4-naphthalen-1-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277162
N,4-diphenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 159878876
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 155374438
N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161487869

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline (CID 174274045) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccccc2-c2cccc3c2oc2c4ccccc4ccc32)cc1.
What is the InChIKey of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline?
The InChIKey is XJTDZLIOEKHSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-2-15-40(16-3-1)47-23-8-10-29-53(47)57(44-34-31-38(32-35-44)42-20-12-21-43(37-42)46-26-13-19-39-17-4-6-22-45(39)46)54-30-11-9-25-49(54)50-27-14-28-51-52-36-33-41-18-5-7-24-48(41)55(52)58-56(50)51/h1-37H.
What are the key properties of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline?
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 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]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 174274045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).