N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

C58H39NO — CID 168804464

IUPACN-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39NO/c1-4-14-43(15-5-1)52-35-34-51(39-55(52)45-18-8-3-9-19-45)59(49-30-25-41(26-31-49)47-24-23-40-13-10-11-20-46(40)37-47)50-32-27-42(28-33-50)48-29-36-57-56(38-48)54-22-12-21-53(58(54)60-57)44-16-6-2-7-17-44/h1-39H
InChIKeyTWYYQMWEMIZITE-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (PubChem CID 168804464) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
PubChem CID168804464
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39NO/c1-4-14-43(15-5-1)52-35-34-51(39-55(52)45-18-8-3-9-19-45)59(49-30-25-41(26-31-49)47-24-23-40-13-10-11-20-46(40)37-47)50-32-27-42(28-33-50)48-29-36-57-56(38-48)54-22-12-21-53(58(54)60-57)44-16-6-2-7-17-44/h1-39H
InChIKeyTWYYQMWEMIZITE-UHFFFAOYSA-N
XLogP16.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline
CID 168804509
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
CID 174074843
CID 174074843
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (CID 168804464) is N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The InChIKey is TWYYQMWEMIZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-14-43(15-5-1)52-35-34-51(39-55(52)45-18-8-3-9-19-45)59(49-30-25-41(26-31-49)47-24-23-40-13-10-11-20-46(40)37-47)50-32-27-42(28-33-50)48-29-36-57-56(38-48)54-22-12-21-53(58(54)60-57)44-16-6-2-7-17-44/h1-39H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline has a molecular weight of 765.96 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is sourced from PubChem (CID 168804464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).