N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

C60H39NO2 — CID 172503158

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3)c(-c3ccccc3N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C60H39NO2/c1-3-15-40(16-4-1)43-29-34-49(48-20-8-7-19-47(48)42-17-5-2-6-18-42)55(37-43)50-21-9-12-24-56(50)61(46-33-36-54-52-23-11-14-26-58(52)63-60(54)39-46)45-31-27-41(28-32-45)44-30-35-53-51-22-10-13-25-57(51)62-59(53)38-44/h1-39H
InChIKeyCVPIKAJLPLYKPP-UHFFFAOYSA-N
MW805.98 g/mol
LogP17.29
Rot. Bonds8

About N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 172503158) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID172503158
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3)c(-c3ccccc3N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C60H39NO2/c1-3-15-40(16-4-1)43-29-34-49(48-20-8-7-19-47(48)42-17-5-2-6-18-42)55(37-43)50-21-9-12-24-56(50)61(46-33-36-54-52-23-11-14-26-58(52)63-60(54)39-46)45-31-27-41(28-32-45)44-30-35-53-51-22-10-13-25-57(51)62-59(53)38-44/h1-39H
InChIKeyCVPIKAJLPLYKPP-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

N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306
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-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
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-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
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)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (CID 172503158) is N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3)c(-c3ccccc3N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is CVPIKAJLPLYKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-3-15-40(16-4-1)43-29-34-49(48-20-8-7-19-47(48)42-17-5-2-6-18-42)55(37-43)50-21-9-12-24-56(50)61(46-33-36-54-52-23-11-14-26-58(52)63-60(54)39-46)45-31-27-41(28-32-45)44-30-35-53-51-22-10-13-25-57(51)62-59(53)38-44/h1-39H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-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-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 172503158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).