2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine

C64H36N2O4 — CID 123258916

IUPAC2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine
SMILESc1ccc2c(c1)oc1c(N(c3cc4ccc5cc(N(c6cccc7c6oc6ccccc67)c6cccc7c6oc6ccccc67)cc6ccc(c3)c4c56)c3cccc4c3oc3ccccc34)cccc12
InChIInChI=1S/C64H36N2O4/c1-5-25-55-43(13-1)47-17-9-21-51(61(47)67-55)65(52-22-10-18-48-44-14-2-6-26-56(44)68-62(48)52)41-33-37-29-31-39-35-42(36-40-32-30-38(34-41)59(37)60(39)40)66(53-23-11-19-49-45-15-3-7-27-57(45)69-63(49)53)54-24-12-20-50-46-16-4-8-28-58(46)70-64(50)54/h1-36H
InChIKeyDPZRCADSCLVTRK-UHFFFAOYSA-N
MW897.00 g/mol
LogP19.12
Rot. Bonds6

About 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine

2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine (PubChem CID 123258916) has the molecular formula C64H36N2O4 and a molecular weight of 897.00 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine
PubChem CID123258916
Molecular FormulaC64H36N2O4
Molecular Weight897.00 g/mol
Exact Mass896.27
IUPAC Name2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine
SMILESc1ccc2c(c1)oc1c(N(c3cc4ccc5cc(N(c6cccc7c6oc6ccccc67)c6cccc7c6oc6ccccc67)cc6ccc(c3)c4c56)c3cccc4c3oc3ccccc34)cccc12
InChIInChI=1S/C64H36N2O4/c1-5-25-55-43(13-1)47-17-9-21-51(61(47)67-55)65(52-22-10-18-48-44-14-2-6-26-56(44)68-62(48)52)41-33-37-29-31-39-35-42(36-40-32-30-38(34-41)59(37)60(39)40)66(53-23-11-19-49-45-15-3-7-27-57(45)69-63(49)53)54-24-12-20-50-46-16-4-8-28-58(46)70-64(50)54/h1-36H
InChIKeyDPZRCADSCLVTRK-UHFFFAOYSA-N
XLogP19.12
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.00
LogP ≤ 519.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-propan-2-ylphenyl)pyrene-2,7-diamine
CID 129082361
4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)pyren-2-yl]-dibenzofuran-4-ylamino]benzonitrile
CID 129082360
N-(4-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-tetradecaenyl)-N-phenyldibenzofuran-4-amine
CID 167412634
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine
CID 58461843
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
6,8-bis(N-dibenzofuran-4-ylanilino)pyrene-2-carbonitrile
CID 122579016
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
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,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine (CID 123258916) is 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine is c1ccc2c(c1)oc1c(N(c3cc4ccc5cc(N(c6cccc7c6oc6ccccc67)c6cccc7c6oc6ccccc67)cc6ccc(c3)c4c56)c3cccc4c3oc3ccccc34)cccc12.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine?
The InChIKey is DPZRCADSCLVTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N2O4/c1-5-25-55-43(13-1)47-17-9-21-51(61(47)67-55)65(52-22-10-18-48-44-14-2-6-26-56(44)68-62(48)52)41-33-37-29-31-39-35-42(36-40-32-30-38(34-41)59(37)60(39)40)66(53-23-11-19-49-45-15-3-7-27-57(45)69-63(49)53)54-24-12-20-50-46-16-4-8-28-58(46)70-64(50)54/h1-36H.
What are the key properties of 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine?
2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine has a molecular weight of 897.00 g/mol, XLogP of 19.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine is sourced from PubChem (CID 123258916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).