8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

C64H40N2O4 — CID 155360844

IUPAC8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
SMILESCc1ccc(N(c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccc(C)cc9)c9ccc%10oc%11ccccc%11c%10c9)ccc8c7oc6c5oc34)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C64H40N2O4/c1-37-11-17-41(18-12-37)65(45-23-31-59-55(35-45)49-7-3-5-9-57(49)67-59)43-21-27-47-39(33-43)15-25-51-53-29-30-54-52-26-16-40-34-44(22-28-48(40)62(52)70-64(54)63(53)69-61(47)51)66(42-19-13-38(2)14-20-42)46-24-32-60-56(36-46)50-8-4-6-10-58(50)68-60/h3-36H,1-2H3
InChIKeyRCYUSJZLZZATEM-UHFFFAOYSA-N
MW901.03 g/mol
LogP19.15
Rot. Bonds6

About 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (PubChem CID 155360844) has the molecular formula C64H40N2O4 and a molecular weight of 901.03 g/mol. Its IUPAC name is 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
PubChem CID155360844
Molecular FormulaC64H40N2O4
Molecular Weight901.03 g/mol
Exact Mass900.30
IUPAC Name8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
SMILESCc1ccc(N(c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccc(C)cc9)c9ccc%10oc%11ccccc%11c%10c9)ccc8c7oc6c5oc34)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C64H40N2O4/c1-37-11-17-41(18-12-37)65(45-23-31-59-55(35-45)49-7-3-5-9-57(49)67-59)43-21-27-47-39(33-43)15-25-51-53-29-30-54-52-26-16-40-34-44(22-28-48(40)62(52)70-64(54)63(53)69-61(47)51)66(42-19-13-38(2)14-20-42)46-24-32-60-56(36-46)50-8-4-6-10-58(50)68-60/h3-36H,1-2H3
InChIKeyRCYUSJZLZZATEM-UHFFFAOYSA-N
XLogP19.15
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.03
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine with MolForge

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Related Compounds

8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155360838
9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359544
9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 155361491
9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 155360264
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 169285130
N,N-diphenyldibenzofuran-2-amine
CID 58038469
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
2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 164952868
14-N-[4-[4-(4-methyl-N-[18-(N-(4-methylphenyl)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)phenyl]phenyl]-10-N,10-N,14-N-triphenyl-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 167079036

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (CID 155360844) is 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is Cc1ccc(N(c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccc(C)cc9)c9ccc%10oc%11ccccc%11c%10c9)ccc8c7oc6c5oc34)c2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?
The InChIKey is RCYUSJZLZZATEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O4/c1-37-11-17-41(18-12-37)65(45-23-31-59-55(35-45)49-7-3-5-9-57(49)67-59)43-21-27-47-39(33-43)15-25-51-53-29-30-54-52-26-16-40-34-44(22-28-48(40)62(52)70-64(54)63(53)69-61(47)51)66(42-19-13-38(2)14-20-42)46-24-32-60-56(36-46)50-8-4-6-10-58(50)68-60/h3-36H,1-2H3.
What are the key properties of 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine has a molecular weight of 901.03 g/mol, XLogP of 19.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is sourced from PubChem (CID 155360844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).