8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

C65H42N2O3 — CID 155361879

IUPAC8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
SMILESCC1(C)c2cc3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1ccc1oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc4cc3c21
InChIInChI=1S/C65H42N2O3/c1-65(2)53-31-32-59-62(52-36-40-28-30-46(34-42(40)38-60(52)68-59)67(44-17-7-4-8-18-44)56-24-14-22-50-48-20-10-12-26-58(48)70-64(50)56)61(53)51-35-39-27-29-45(33-41(39)37-54(51)65)66(43-15-5-3-6-16-43)55-23-13-21-49-47-19-9-11-25-57(47)69-63(49)55/h3-38H,1-2H3
InChIKeyXCZQMWXBIRFUOP-UHFFFAOYSA-N
MW899.06 g/mol
LogP18.94
Rot. Bonds6

About 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (PubChem CID 155361879) has the molecular formula C65H42N2O3 and a molecular weight of 899.06 g/mol. Its IUPAC name is 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
PubChem CID155361879
Molecular FormulaC65H42N2O3
Molecular Weight899.06 g/mol
Exact Mass898.32
IUPAC Name8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
SMILESCC1(C)c2cc3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1ccc1oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc4cc3c21
InChIInChI=1S/C65H42N2O3/c1-65(2)53-31-32-59-62(52-36-40-28-30-46(34-42(40)38-60(52)68-59)67(44-17-7-4-8-18-44)56-24-14-22-50-48-20-10-12-26-58(48)70-64(50)56)61(53)51-35-39-27-29-45(33-41(39)37-54(51)65)66(43-15-5-3-6-16-43)55-23-13-21-49-47-19-9-11-25-57(47)69-63(49)55/h3-38H,1-2H3
InChIKeyXCZQMWXBIRFUOP-UHFFFAOYSA-N
XLogP18.94
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.06
LogP ≤ 518.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine with MolForge

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Related Compounds

N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 90140356
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
9-N,23-N-di(dibenzofuran-4-yl)-14,14,28,28-tetramethyl-9-N,23-N-diphenylheptacyclo[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;14,14,28,28-tetramethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenylheptacyclo[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;14,14,28,28-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)heptacyclo[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 158488076
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 90140184
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-di(dibenzofuran-4-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362763
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N,2,16-tetraphenyl-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 155360798
N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine
CID 140962343
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
9-N,23-N-bis(9,9-dimethylfluoren-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 158555256
9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-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 155361936
14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
CID 159842803
9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359655

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (CID 155361879) is 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is CC1(C)c2cc3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc3cc2-c2c1ccc1oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc4cc3c21.
What is the InChIKey of 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
The InChIKey is XCZQMWXBIRFUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O3/c1-65(2)53-31-32-59-62(52-36-40-28-30-46(34-42(40)38-60(52)68-59)67(44-17-7-4-8-18-44)56-24-14-22-50-48-20-10-12-26-58(48)70-64(50)56)61(53)51-35-39-27-29-45(33-41(39)37-54(51)65)66(43-15-5-3-6-16-43)55-23-13-21-49-47-19-9-11-25-57(47)69-63(49)55/h3-38H,1-2H3.
What are the key properties of 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine has a molecular weight of 899.06 g/mol, XLogP of 18.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,23-N-di(dibenzofuran-4-yl)-18,18-dimethyl-8-N,23-N-diphenyl-13-oxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is sourced from PubChem (CID 155361879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).