N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

C60H39NO — CID 121296561

IUPACN-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H39NO/c1-3-12-40(13-4-1)42-22-28-48(29-23-42)61(50-32-33-55-53-20-8-7-18-51(53)52-19-9-10-21-54(52)56(55)39-50)49-30-24-43(25-31-49)44-16-11-17-45(36-44)47-27-35-60-58(38-47)57-37-46(26-34-59(57)62-60)41-14-5-2-6-15-41/h1-39H
InChIKeyBYHIHBYSXWPQMW-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (PubChem CID 121296561) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
PubChem CID121296561
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H39NO/c1-3-12-40(13-4-1)42-22-28-48(29-23-42)61(50-32-33-55-53-20-8-7-18-51(53)52-19-9-10-21-54(52)56(55)39-50)49-30-24-43(25-31-49)44-16-11-17-45(36-44)47-27-35-60-58(38-47)57-37-46(26-34-59(57)62-60)41-14-5-2-6-15-41/h1-39H
InChIKeyBYHIHBYSXWPQMW-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296581
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
CID 118214562
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
16-phenyl-N,N-bis[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 171050361
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N,16-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 171050312
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
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-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (CID 121296561) is N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The InChIKey is BYHIHBYSXWPQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-12-40(13-4-1)42-22-28-48(29-23-42)61(50-32-33-55-53-20-8-7-18-51(53)52-19-9-10-21-54(52)56(55)39-50)49-30-24-43(25-31-49)44-16-11-17-45(36-44)47-27-35-60-58(38-47)57-37-46(26-34-59(57)62-60)41-14-5-2-6-15-41/h1-39H.
What are the key properties of N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 121296561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).