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

C60H36N2O3 — CID 118359848

IUPAC3-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
SMILESc1ccc(-c2ccccc2N(c2cc3c4c(ccc5cc(N(c6ccccc6)c6cccc7c6oc6ccccc67)c6cccc(c6c54)O3)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H36N2O3/c1-3-16-37(17-4-1)42-20-7-10-26-48(42)62(50-28-14-24-46-44-22-9-12-30-53(44)65-60(46)50)41-34-38-32-33-39-35-51(47-25-15-31-54-58(47)57(39)56(38)55(36-41)63-54)61(40-18-5-2-6-19-40)49-27-13-23-45-43-21-8-11-29-52(43)64-59(45)49/h1-36H
InChIKeyRJHBTBLEKHMLER-UHFFFAOYSA-N
MW832.96 g/mol
LogP17.66
Rot. Bonds7

About 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

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 (PubChem CID 118359848) has the molecular formula C60H36N2O3 and a molecular weight of 832.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID118359848
Molecular FormulaC60H36N2O3
Molecular Weight832.96 g/mol
Exact Mass832.27
IUPAC Name3-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
SMILESc1ccc(-c2ccccc2N(c2cc3c4c(ccc5cc(N(c6ccccc6)c6cccc7c6oc6ccccc67)c6cccc(c6c54)O3)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H36N2O3/c1-3-16-37(17-4-1)42-20-7-10-26-48(42)62(50-28-14-24-46-44-22-9-12-30-53(44)65-60(46)50)41-34-38-32-33-39-35-51(47-25-15-31-54-58(47)57(39)56(38)55(36-41)63-54)61(40-18-5-2-6-19-40)49-27-13-23-45-43-21-8-11-29-52(43)64-59(45)49/h1-36H
InChIKeyRJHBTBLEKHMLER-UHFFFAOYSA-N
XLogP17.66
TPSA41.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.96
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

12-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,12-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaene-3,12-diamine
CID 118359889
3-N-naphthalen-1-yl-10-N-naphthalen-2-yl-3-N,10-N-bis(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 118359841
13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-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 158536422
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
CID 121295928
16-N-dibenzofuran-2-yl-5-N-dibenzofuran-4-yl-5-N-phenyl-16-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 121295885
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
N-dibenzofuran-4-yl-N,1-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131148
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccccc2N(c2cc3c4c(ccc5cc(N(c6ccccc6)c6cccc7c6oc6ccccc67)c6cccc(c6c54)O3)c2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is RJHBTBLEKHMLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O3/c1-3-16-37(17-4-1)42-20-7-10-26-48(42)62(50-28-14-24-46-44-22-9-12-30-53(44)65-60(46)50)41-34-38-32-33-39-35-51(47-25-15-31-54-58(47)57(39)56(38)55(36-41)63-54)61(40-18-5-2-6-19-40)49-27-13-23-45-43-21-8-11-29-52(43)64-59(45)49/h1-36H.
What are the key properties of 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?
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 has a molecular weight of 832.96 g/mol, XLogP of 17.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118359848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).