9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine

C72H55FN2O4 — CID 155362392

IUPAC9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(F)c2c(cc13)oc1cc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc3cc12)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C72H55FN2O4/c1-40-17-9-11-25-57(40)74(59-27-15-21-50-48-19-13-23-55(71(3,4)5)66(48)78-68(50)59)46-31-29-42-35-52-53-39-63-64(65(73)70(53)77-61(52)37-44(42)33-46)54-36-43-30-32-47(34-45(43)38-62(54)76-63)75(58-26-12-10-18-41(58)2)60-28-16-22-51-49-20-14-24-56(72(6,7)8)67(49)79-69(51)60/h9-39H,1-8H3
InChIKeyQUMWPESTJFJARO-UHFFFAOYSA-N
MW1031.24 g/mol
LogP21.88
Rot. Bonds6

About 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine

9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 155362392) has the molecular formula C72H55FN2O4 and a molecular weight of 1031.24 g/mol. Its IUPAC name is 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
PubChem CID155362392
Molecular FormulaC72H55FN2O4
Molecular Weight1031.24 g/mol
Exact Mass1030.41
IUPAC Name9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(F)c2c(cc13)oc1cc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc3cc12)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C72H55FN2O4/c1-40-17-9-11-25-57(40)74(59-27-15-21-50-48-19-13-23-55(71(3,4)5)66(48)78-68(50)59)46-31-29-42-35-52-53-39-63-64(65(73)70(53)77-61(52)37-44(42)33-46)54-36-43-30-32-47(34-45(43)38-62(54)76-63)75(58-26-12-10-18-41(58)2)60-28-16-22-51-49-20-14-24-56(72(6,7)8)67(49)79-69(51)60/h9-39H,1-8H3
InChIKeyQUMWPESTJFJARO-UHFFFAOYSA-N
XLogP21.88
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.24
LogP ≤ 521.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine with MolForge

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Related Compounds

8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362543
2-tert-butyl-9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360289
8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362024
8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-15-methyl-8-N,23-N-diphenyl-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 155362943
9-N,25-N-bis(6-tert-butyldibenzofuran-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 146497473
8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362211
9-N,23-N-bis(2-methylphenyl)-2-phenyl-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-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361821
9,23-bis[bis(6-tert-butyldibenzofuran-4-yl)amino]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-2-carbonitrile;9,23-bis[bis(6-phenyldibenzofuran-4-yl)amino]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-2-carbonitrile;9,23-bis(N-(6-tert-butyldibenzofuran-4-yl)-2,6-dimethylanilino)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-2-carbonitrile;9,23-bis(N-dibenzofuran-4-yl-2,6-dimethylanilino)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-2-carbonitrile;9,23-bis[di(dibenzofuran-4-yl)amino]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-2-carbonitrile;9,23-bis(2,6-dimethyl-N-(6-phenyldibenzofuran-4-yl)anilino)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-2-carbonitrile
CID 157237641
8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-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 167304232
8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 159776032
8-N,23-N-bis(3-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361501
9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-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 155359681

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?
The IUPAC name of 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 155362392) is 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine is Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(F)c2c(cc13)oc1cc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc3cc12)c1cccc2c1oc1c(C(C)(C)C)cccc12.
What is the InChIKey of 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?
The InChIKey is QUMWPESTJFJARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H55FN2O4/c1-40-17-9-11-25-57(40)74(59-27-15-21-50-48-19-13-23-55(71(3,4)5)66(48)78-68(50)59)46-31-29-42-35-52-53-39-63-64(65(73)70(53)77-61(52)37-44(42)33-46)54-36-43-30-32-47(34-45(43)38-62(54)76-63)75(58-26-12-10-18-41(58)2)60-28-16-22-51-49-20-14-24-56(72(6,7)8)67(49)79-69(51)60/h9-39H,1-8H3.
What are the key properties of 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?
9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 1031.24 g/mol, XLogP of 21.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-2-fluoro-9-N,23-N-bis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 155362392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).