6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

C80H50N2O3 — CID 90263358

IUPAC6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccc7cc(N(c8cccc(-c9ccccc9)c8)c8cccc9c8oc8c(-c%10ccccc%10)cccc89)ccc7c6c54)c3)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1
InChIInChI=1S/C80H50N2O3/c1-5-19-51(20-6-1)55-27-13-29-59(47-55)81(71-37-17-35-69-67-33-15-31-65(77(67)84-79(69)71)53-23-9-3-10-24-53)61-41-43-63-57(49-61)39-45-73-75(63)76-64-44-42-62(50-58(64)40-46-74(76)83-73)82(60-30-14-28-56(48-60)52-21-7-2-8-22-52)72-38-18-36-70-68-34-16-32-66(78(68)85-80(70)72)54-25-11-4-12-26-54/h1-50H
InChIKeyXTFYNBUTFBVSMR-UHFFFAOYSA-N
MW1087.29 g/mol
LogP23.30
Rot. Bonds10

About 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (PubChem CID 90263358) has the molecular formula C80H50N2O3 and a molecular weight of 1087.29 g/mol. Its IUPAC name is 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
PubChem CID90263358
Molecular FormulaC80H50N2O3
Molecular Weight1087.29 g/mol
Exact Mass1086.38
IUPAC Name6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccc7cc(N(c8cccc(-c9ccccc9)c8)c8cccc9c8oc8c(-c%10ccccc%10)cccc89)ccc7c6c54)c3)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1
InChIInChI=1S/C80H50N2O3/c1-5-19-51(20-6-1)55-27-13-29-59(47-55)81(71-37-17-35-69-67-33-15-31-65(77(67)84-79(69)71)53-23-9-3-10-24-53)61-41-43-63-57(49-61)39-45-73-75(63)76-64-44-42-62(50-58(64)40-46-74(76)83-73)82(60-30-14-28-56(48-60)52-21-7-2-8-22-52)72-38-18-36-70-68-34-16-32-66(78(68)85-80(70)72)54-25-11-4-12-26-54/h1-50H
InChIKeyXTFYNBUTFBVSMR-UHFFFAOYSA-N
XLogP23.30
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.29
LogP ≤ 523.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine with MolForge

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Related Compounds

6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 159224268
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N,8-diphenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 177130769
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362515
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-dibenzofuran-4-yl-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397315
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine
CID 167397702
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397813
10-N,14-N-bis(2-methylphenyl)-14-N-[3-[4-(2-methylphenyl)-6-(N-[18-(N-[6-(2-methylphenyl)dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaen-6-yl]anilino)dibenzofuran-2-yl]phenyl]-10-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
CID 155082708

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
The IUPAC name of 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (CID 90263358) is 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.
What is the SMILES notation for 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
The canonical SMILES for 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is c1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccc7cc(N(c8cccc(-c9ccccc9)c8)c8cccc9c8oc8c(-c%10ccccc%10)cccc89)ccc7c6c54)c3)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1.
What is the InChIKey of 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
The InChIKey is XTFYNBUTFBVSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N2O3/c1-5-19-51(20-6-1)55-27-13-29-59(47-55)81(71-37-17-35-69-67-33-15-31-65(77(67)84-79(69)71)53-23-9-3-10-24-53)61-41-43-63-57(49-61)39-45-73-75(63)76-64-44-42-62(50-58(64)40-46-74(76)83-73)82(60-30-14-28-56(48-60)52-21-7-2-8-22-52)72-38-18-36-70-68-34-16-32-66(78(68)85-80(70)72)54-25-11-4-12-26-54/h1-50H.
What are the key properties of 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?
6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine has a molecular weight of 1087.29 g/mol, XLogP of 23.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is sourced from PubChem (CID 90263358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).