1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine

C64H40N2O2 — CID 87619571

IUPAC1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7cccc8c7oc7c(-c9ccccc9)cccc78)ccc7ccc4c5c76)cccc23)cc1
InChIInChI=1S/C64H40N2O2/c1-5-17-41(18-6-1)47-25-13-27-49-51-29-15-31-57(63(51)67-61(47)49)65(45-21-9-3-10-22-45)55-39-35-43-34-38-54-56(40-36-44-33-37-53(55)59(43)60(44)54)66(46-23-11-4-12-24-46)58-32-16-30-52-50-28-14-26-48(62(50)68-64(52)58)42-19-7-2-8-20-42/h1-40H
InChIKeyXEGZHLZHNKUXJP-UHFFFAOYSA-N
MW869.04 g/mol
LogP18.66
Rot. Bonds8

About 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine

1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine (PubChem CID 87619571) has the molecular formula C64H40N2O2 and a molecular weight of 869.04 g/mol. Its IUPAC name is 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
PubChem CID87619571
Molecular FormulaC64H40N2O2
Molecular Weight869.04 g/mol
Exact Mass868.31
IUPAC Name1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7cccc8c7oc7c(-c9ccccc9)cccc78)ccc7ccc4c5c76)cccc23)cc1
InChIInChI=1S/C64H40N2O2/c1-5-17-41(18-6-1)47-25-13-27-49-51-29-15-31-57(63(51)67-61(47)49)65(45-21-9-3-10-22-45)55-39-35-43-34-38-54-56(40-36-44-33-37-53(55)59(43)60(44)54)66(46-23-11-4-12-24-46)58-32-16-30-52-50-28-14-26-48(62(50)68-64(52)58)42-19-7-2-8-20-42/h1-40H
InChIKeyXEGZHLZHNKUXJP-UHFFFAOYSA-N
XLogP18.66
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.04
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,6-N-diphenyl-6-N-(6-phenyldibenzofuran-4-yl)-1-N-(6-phenyldibenzothiophen-4-yl)pyrene-1,6-diamine
CID 159972143
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
7-tert-butyl-1-N,3-N-diphenyl-1-N,3-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,3-diamine
CID 122578933
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
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
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 130466818
1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;ethane;toluene
CID 144918792

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine (CID 87619571) is 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine is c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5ccc6c(N(c7ccccc7)c7cccc8c7oc7c(-c9ccccc9)cccc78)ccc7ccc4c5c76)cccc23)cc1.
What is the InChIKey of 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine?
The InChIKey is XEGZHLZHNKUXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O2/c1-5-17-41(18-6-1)47-25-13-27-49-51-29-15-31-57(63(51)67-61(47)49)65(45-21-9-3-10-22-45)55-39-35-43-34-38-54-56(40-36-44-33-37-53(55)59(43)60(44)54)66(46-23-11-4-12-24-46)58-32-16-30-52-50-28-14-26-48(62(50)68-64(52)58)42-19-7-2-8-20-42/h1-40H.
What are the key properties of 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine?
1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine has a molecular weight of 869.04 g/mol, XLogP of 18.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine is sourced from PubChem (CID 87619571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).