N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline

C60H37NO2 — CID 118214693

IUPACN,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c1
InChIInChI=1S/C60H37NO2/c1-2-14-49-47(12-1)48-13-3-4-15-50(48)54-35-43(24-31-51(49)54)40-10-9-11-46(34-40)61(44-27-20-38(21-28-44)41-25-32-59-55(36-41)52-16-5-7-18-57(52)62-59)45-29-22-39(23-30-45)42-26-33-60-56(37-42)53-17-6-8-19-58(53)63-60/h1-37H
InChIKeyIGKXGWSJJHXDDF-UHFFFAOYSA-N
MW803.96 g/mol
LogP17.42
Rot. Bonds6

About N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline

N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline (PubChem CID 118214693) has the molecular formula C60H37NO2 and a molecular weight of 803.96 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
PubChem CID118214693
Molecular FormulaC60H37NO2
Molecular Weight803.96 g/mol
Exact Mass803.28
IUPAC NameN,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c1
InChIInChI=1S/C60H37NO2/c1-2-14-49-47(12-1)48-13-3-4-15-50(48)54-35-43(24-31-51(49)54)40-10-9-11-46(34-40)61(44-27-20-38(21-28-44)41-25-32-59-55(36-41)52-16-5-7-18-57(52)62-59)45-29-22-39(23-30-45)42-26-33-60-56(37-42)53-17-6-8-19-58(53)63-60/h1-37H
InChIKeyIGKXGWSJJHXDDF-UHFFFAOYSA-N
XLogP17.42
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.96
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
CID 118214562
N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296561
N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296581
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
N-phenyl-N-[3-(4-phenylphenyl)phenyl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121635

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline?
The IUPAC name of N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline (CID 118214693) is N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c1.
What is the InChIKey of N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline?
The InChIKey is IGKXGWSJJHXDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2/c1-2-14-49-47(12-1)48-13-3-4-15-50(48)54-35-43(24-31-51(49)54)40-10-9-11-46(34-40)61(44-27-20-38(21-28-44)41-25-32-59-55(36-41)52-16-5-7-18-57(52)62-59)45-29-22-39(23-30-45)42-26-33-60-56(37-42)53-17-6-8-19-58(53)63-60/h1-37H.
What are the key properties of N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline?
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline has a molecular weight of 803.96 g/mol, XLogP of 17.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline is sourced from PubChem (CID 118214693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).