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

C66H43NO — CID 121296581

IUPACN-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc7oc8ccc(-c9ccccc9)cc8c7c6)c5)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C66H43NO/c1-3-12-44(13-4-1)47-26-32-54(33-27-47)67(56-36-37-61-59-20-8-7-18-57(59)58-19-9-10-21-60(58)62(61)43-56)55-34-28-48(29-35-55)46-22-24-49(25-23-46)50-16-11-17-51(40-50)53-31-39-66-64(42-53)63-41-52(30-38-65(63)68-66)45-14-5-2-6-15-45/h1-43H
InChIKeyBUCOEQXPHCIIEZ-UHFFFAOYSA-N
MW866.08 g/mol
LogP18.85
Rot. Bonds8

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

N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (PubChem CID 121296581) has the molecular formula C66H43NO and a molecular weight of 866.08 g/mol. Its IUPAC name is N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
PubChem CID121296581
Molecular FormulaC66H43NO
Molecular Weight866.08 g/mol
Exact Mass865.33
IUPAC NameN-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc7oc8ccc(-c9ccccc9)cc8c7c6)c5)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C66H43NO/c1-3-12-44(13-4-1)47-26-32-54(33-27-47)67(56-36-37-61-59-20-8-7-18-57(59)58-19-9-10-21-60(58)62(61)43-56)55-34-28-48(29-35-55)46-22-24-49(25-23-46)50-16-11-17-51(40-50)53-31-39-66-64(42-53)63-41-52(30-38-65(63)68-66)45-14-5-2-6-15-45/h1-43H
InChIKeyBUCOEQXPHCIIEZ-UHFFFAOYSA-N
XLogP18.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296561
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-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (CID 121296581) is N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc7oc8ccc(-c9ccccc9)cc8c7c6)c5)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The InChIKey is BUCOEQXPHCIIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO/c1-3-12-44(13-4-1)47-26-32-54(33-27-47)67(56-36-37-61-59-20-8-7-18-57(59)58-19-9-10-21-60(58)62(61)43-56)55-34-28-48(29-35-55)46-22-24-49(25-23-46)50-16-11-17-51(40-50)53-31-39-66-64(42-53)63-41-52(30-38-65(63)68-66)45-14-5-2-6-15-45/h1-43H.
What are the key properties of N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 866.08 g/mol, XLogP of 18.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 121296581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).