1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine

C64H40N2O2 — CID 140901981

IUPAC1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
SMILESc1ccc(-c2ccccc2N(c2cc3ccc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc5cccc2c5c34)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C64H40N2O2/c1-3-18-41(19-4-1)45-23-7-11-30-53(45)65(56-32-16-27-49-47-25-9-13-34-59(47)67-63(49)56)55-39-37-44-40-58(51-29-15-22-43-36-38-52(55)62(44)61(43)51)66(54-31-12-8-24-46(54)42-20-5-2-6-21-42)57-33-17-28-50-48-26-10-14-35-60(48)68-64(50)57/h1-40H
InChIKeyJYXDSILYFKKXRE-UHFFFAOYSA-N
MW869.04 g/mol
LogP18.66
Rot. Bonds8

About 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine

1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine (PubChem CID 140901981) has the molecular formula C64H40N2O2 and a molecular weight of 869.04 g/mol. Its IUPAC name is 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
PubChem CID140901981
Molecular FormulaC64H40N2O2
Molecular Weight869.04 g/mol
Exact Mass868.31
IUPAC Name1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
SMILESc1ccc(-c2ccccc2N(c2cc3ccc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc5cccc2c5c34)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C64H40N2O2/c1-3-18-41(19-4-1)45-23-7-11-30-53(45)65(56-32-16-27-49-47-25-9-13-34-59(47)67-63(49)56)55-39-37-44-40-58(51-29-15-22-43-36-38-52(55)62(44)61(43)51)66(54-31-12-8-24-46(54)42-20-5-2-6-21-42)57-33-17-28-50-48-26-10-14-35-60(48)68-64(50)57/h1-40H
InChIKeyJYXDSILYFKKXRE-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'}

Analyze 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine 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-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine
CID 166050911
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
N-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167411494
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-(2-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167413071
N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423485
3-N,10-N-di(dibenzofuran-4-yl)-10-N-phenyl-3-N-(2-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359848
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,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 160892086
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine?
The IUPAC name of 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine (CID 140901981) is 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine.
What is the SMILES notation for 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine?
The canonical SMILES for 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine is c1ccc(-c2ccccc2N(c2cc3ccc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc5cccc2c5c34)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine?
The InChIKey is JYXDSILYFKKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O2/c1-3-18-41(19-4-1)45-23-7-11-30-53(45)65(56-32-16-27-49-47-25-9-13-34-59(47)67-63(49)56)55-39-37-44-40-58(51-29-15-22-43-36-38-52(55)62(44)61(43)51)66(54-31-12-8-24-46(54)42-20-5-2-6-21-42)57-33-17-28-50-48-26-10-14-35-60(48)68-64(50)57/h1-40H.
What are the key properties of 1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine?
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-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,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine is sourced from PubChem (CID 140901981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).