N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline

C58H41NO — CID 170294791

IUPACN-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline
SMILESC1=c2cccc(-c3ccccc3)c2=C(c2ccccc2N(c2ccccc2-c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)CC1
InChIInChI=1S/C58H41NO/c1-3-17-40(18-4-1)41-33-35-43(36-34-41)46-23-7-11-29-53(46)59(54-30-12-8-24-47(54)45-37-38-51-50-26-10-14-32-56(50)60-57(51)39-45)55-31-13-9-25-49(55)52-28-16-22-44-21-15-27-48(58(44)52)42-19-5-2-6-20-42/h1-15,17-27,29-39H,16,28H2
InChIKeyZUTVEKYMAHZSSJ-UHFFFAOYSA-N
MW767.97 g/mol
LogP14.50
Rot. Bonds8

About N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline

N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline (PubChem CID 170294791) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline
PubChem CID170294791
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC NameN-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline
SMILESC1=c2cccc(-c3ccccc3)c2=C(c2ccccc2N(c2ccccc2-c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)CC1
InChIInChI=1S/C58H41NO/c1-3-17-40(18-4-1)41-33-35-43(36-34-41)46-23-7-11-29-53(46)59(54-30-12-8-24-47(54)45-37-38-51-50-26-10-14-32-56(50)60-57(51)39-45)55-31-13-9-25-49(55)52-28-16-22-44-21-15-27-48(58(44)52)42-19-5-2-6-20-42/h1-15,17-27,29-39H,16,28H2
InChIKeyZUTVEKYMAHZSSJ-UHFFFAOYSA-N
XLogP14.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170665611
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738021
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
CID 167325268
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186597
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline (CID 170294791) is N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline is C1=c2cccc(-c3ccccc3)c2=C(c2ccccc2N(c2ccccc2-c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)CC1.
What is the InChIKey of N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline?
The InChIKey is ZUTVEKYMAHZSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-3-17-40(18-4-1)41-33-35-43(36-34-41)46-23-7-11-29-53(46)59(54-30-12-8-24-47(54)45-37-38-51-50-26-10-14-32-56(50)60-57(51)39-45)55-31-13-9-25-49(55)52-28-16-22-44-21-15-27-48(58(44)52)42-19-5-2-6-20-42/h1-15,17-27,29-39H,16,28H2.
What are the key properties of N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline?
N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline has a molecular weight of 767.97 g/mol, XLogP of 14.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170294791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).