N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline

C60H41NO — CID 172501306

IUPACN-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H41NO/c1-4-16-42(17-5-1)44-28-34-49(35-29-44)61(50-36-30-45(31-37-50)48-33-39-56-55-25-13-15-27-59(55)62-60(56)41-48)58-26-14-12-24-54(58)52-22-10-11-23-53(52)57-40-47(43-18-6-2-7-19-43)32-38-51(57)46-20-8-3-9-21-46/h1-41H
InChIKeyWFLUMDUKRMPHBK-UHFFFAOYSA-N
MW791.99 g/mol
LogP17.06
Rot. Bonds9

About N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline

N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 172501306) has the molecular formula C60H41NO and a molecular weight of 791.99 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID172501306
Molecular FormulaC60H41NO
Molecular Weight791.99 g/mol
Exact Mass791.32
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H41NO/c1-4-16-42(17-5-1)44-28-34-49(35-29-44)61(50-36-30-45(31-37-50)48-33-39-56-55-25-13-15-27-59(55)62-60(56)41-48)58-26-14-12-24-54(58)52-22-10-11-23-53(52)57-40-47(43-18-6-2-7-19-43)32-38-51(57)46-20-8-3-9-21-46/h1-41H
InChIKeyWFLUMDUKRMPHBK-UHFFFAOYSA-N
XLogP17.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.99
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502132
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
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-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline
CID 166565866
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172501827

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline (CID 172501306) is N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is WFLUMDUKRMPHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO/c1-4-16-42(17-5-1)44-28-34-49(35-29-44)61(50-36-30-45(31-37-50)48-33-39-56-55-25-13-15-27-59(55)62-60(56)41-48)58-26-14-12-24-54(58)52-22-10-11-23-53(52)57-40-47(43-18-6-2-7-19-43)32-38-51(57)46-20-8-3-9-21-46/h1-41H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 791.99 g/mol, XLogP of 17.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 172501306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).