7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine

C68H50N2O5 — CID 158493621

IUPAC7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2ccc4c(oc5ccc6oc7cc(N(c8ccc(C(C)(C)C)cc8)c8ccc9c(c8)oc8ccccc89)ccc7c6c54)c23)cc1
InChIInChI=1S/C68H50N2O5/c1-67(2,3)39-15-19-41(20-16-39)69(43-23-27-49-47-11-7-9-13-54(47)71-59(49)35-43)45-25-29-51-61(37-45)73-56-33-34-57-64(63(51)56)53-31-32-58-65(66(53)75-57)52-30-26-46(38-62(52)74-58)70(42-21-17-40(18-22-42)68(4,5)6)44-24-28-50-48-12-8-10-14-55(48)72-60(50)36-44/h7-38H,1-6H3
InChIKeyHIZRJRZQZYXGGQ-UHFFFAOYSA-N
MW975.16 g/mol
LogP20.72
Rot. Bonds6

About 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine

7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine (PubChem CID 158493621) has the molecular formula C68H50N2O5 and a molecular weight of 975.16 g/mol. Its IUPAC name is 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine.

Molecular Properties

Compound Name7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine
PubChem CID158493621
Molecular FormulaC68H50N2O5
Molecular Weight975.16 g/mol
Exact Mass974.37
IUPAC Name7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2ccc4c(oc5ccc6oc7cc(N(c8ccc(C(C)(C)C)cc8)c8ccc9c(c8)oc8ccccc89)ccc7c6c54)c23)cc1
InChIInChI=1S/C68H50N2O5/c1-67(2,3)39-15-19-41(20-16-39)69(43-23-27-49-47-11-7-9-13-54(47)71-59(49)35-43)45-25-29-51-61(37-45)73-56-33-34-57-64(63(51)56)53-31-32-58-65(66(53)75-57)52-30-26-46(38-62(52)74-58)70(42-21-17-40(18-22-42)68(4,5)6)44-24-28-50-48-12-8-10-14-55(48)72-60(50)36-44/h7-38H,1-6H3
InChIKeyHIZRJRZQZYXGGQ-UHFFFAOYSA-N
XLogP20.72
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.16
LogP ≤ 520.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine with MolForge

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Related Compounds

7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 146666105
N-dibenzofuran-3-yl-N-naphthalen-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine
CID 146647960
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzofuran-3-yl)-4-methylnaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574656
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
CID 134561116
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861

Frequently Asked Questions

What is the IUPAC name of 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine?
The IUPAC name of 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine (CID 158493621) is 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine.
What is the SMILES notation for 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine?
The canonical SMILES for 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2ccc4c(oc5ccc6oc7cc(N(c8ccc(C(C)(C)C)cc8)c8ccc9c(c8)oc8ccccc89)ccc7c6c54)c23)cc1.
What is the InChIKey of 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine?
The InChIKey is HIZRJRZQZYXGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N2O5/c1-67(2,3)39-15-19-41(20-16-39)69(43-23-27-49-47-11-7-9-13-54(47)71-59(49)35-43)45-25-29-51-61(37-45)73-56-33-34-57-64(63(51)56)53-31-32-58-65(66(53)75-57)52-30-26-46(38-62(52)74-58)70(42-21-17-40(18-22-42)68(4,5)6)44-24-28-50-48-12-8-10-14-55(48)72-60(50)36-44/h7-38H,1-6H3.
What are the key properties of 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine?
7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine has a molecular weight of 975.16 g/mol, XLogP of 20.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine is sourced from PubChem (CID 158493621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).