N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine

C60H39NO2 — CID 172502116

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-2-16-40(17-3-1)46-20-4-6-22-49(46)51-24-8-9-25-52(51)50-23-7-5-21-47(50)41-32-34-43(35-33-41)61(45-36-37-59-56(39-45)54-27-11-12-30-57(54)62-59)44-19-14-18-42(38-44)48-28-15-29-55-53-26-10-13-31-58(53)63-60(48)55/h1-39H
InChIKeyPPCLBMZDYHXALV-UHFFFAOYSA-N
MW805.98 g/mol
LogP17.29
Rot. Bonds8

About N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 172502116) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
PubChem CID172502116
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-2-16-40(17-3-1)46-20-4-6-22-49(46)51-24-8-9-25-52(51)50-23-7-5-21-47(50)41-32-34-43(35-33-41)61(45-36-37-59-56(39-45)54-27-11-12-30-57(54)62-59)44-19-14-18-42(38-44)48-28-15-29-55-53-26-10-13-31-58(53)63-60(48)55/h1-39H
InChIKeyPPCLBMZDYHXALV-UHFFFAOYSA-N
XLogP17.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N,18-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050042
N,18-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050522
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522
N-[4-(4-phenylphenyl)phenyl]-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788653
N-(4-phenylphenyl)-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168789012
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine (CID 172502116) is N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is PPCLBMZDYHXALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-2-16-40(17-3-1)46-20-4-6-22-49(46)51-24-8-9-25-52(51)50-23-7-5-21-47(50)41-32-34-43(35-33-41)61(45-36-37-59-56(39-45)54-27-11-12-30-57(54)62-59)44-19-14-18-42(38-44)48-28-15-29-55-53-26-10-13-31-58(53)63-60(48)55/h1-39H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 805.98 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 172502116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).