N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine

C64H42N2O — CID 118012557

IUPACN-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7cccc8c7oc7ccccc78)ccc7ccc4c5c76)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-4-15-43(16-5-1)44-27-35-50(36-28-44)65(58-24-12-10-21-53(58)45-17-6-2-7-18-45)51-37-29-46(30-38-51)52-39-31-47-33-41-57-59(42-34-48-32-40-55(52)62(47)63(48)57)66(49-19-8-3-9-20-49)60-25-14-23-56-54-22-11-13-26-61(54)67-64(56)60/h1-42H
InChIKeyVZILUMGFVZHZFJ-UHFFFAOYSA-N
MW855.05 g/mol
LogP18.42
Rot. Bonds9

About N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine

N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine (PubChem CID 118012557) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
PubChem CID118012557
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7cccc8c7oc7ccccc78)ccc7ccc4c5c76)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-4-15-43(16-5-1)44-27-35-50(36-28-44)65(58-24-12-10-21-53(58)45-17-6-2-7-18-45)51-37-29-46(30-38-51)52-39-31-47-33-41-57-59(42-34-48-32-40-55(52)62(47)63(48)57)66(49-19-8-3-9-20-49)60-25-14-23-56-54-22-11-13-26-61(54)67-64(56)60/h1-42H
InChIKeyVZILUMGFVZHZFJ-UHFFFAOYSA-N
XLogP18.42
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 518.42
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

N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 161073690
N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122592278
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(3-phenyl-4-pyren-1-ylphenyl)phenyl]aniline
CID 155121240
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
CID 118012585
1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 87619571
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121
6-N-dibenzofuran-4-yl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N-dibenzofuran-4-yl-6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-6-N-phenyl-1-N-(2-phenylphenyl)pyrene-1,6-diamine;6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenyl-1-N-(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 158167430
2-[3-(N-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]-2-phenylanilino)phenyl]phenol;ethane
CID 142298110

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine?
The IUPAC name of N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine (CID 118012557) is N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine?
The canonical SMILES for N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7cccc8c7oc7ccccc78)ccc7ccc4c5c76)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine?
The InChIKey is VZILUMGFVZHZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-4-15-43(16-5-1)44-27-35-50(36-28-44)65(58-24-12-10-21-53(58)45-17-6-2-7-18-45)51-37-29-46(30-38-51)52-39-31-47-33-41-57-59(42-34-48-32-40-55(52)62(47)63(48)57)66(49-19-8-3-9-20-49)60-25-14-23-56-54-22-11-13-26-61(54)67-64(56)60/h1-42H.
What are the key properties of N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine?
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine has a molecular weight of 855.05 g/mol, XLogP of 18.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine is sourced from PubChem (CID 118012557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).