8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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

C62H48N2O2 — CID 148580448

IUPAC8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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
SMILESCc1ccc(C)c(N(c2ccc3cc4c(cc3c2)oc2c4cc(-c3ccccc3)c3c4cc5ccc(N(c6ccccc6C)c6cc(C)ccc6C)cc5cc4oc23)c2ccccc2C)c1
InChIInChI=1S/C62H48N2O2/c1-37-20-22-41(5)56(28-37)63(54-18-12-10-14-39(54)3)48-26-24-44-32-51-52-36-50(43-16-8-7-9-17-43)60-53-33-45-25-27-49(64(55-19-13-11-15-40(55)4)57-29-38(2)21-23-42(57)6)31-47(45)35-59(53)66-62(60)61(52)65-58(51)34-46(44)30-48/h7-36H,1-6H3
InChIKeyMYQHHVOAOFYFTM-UHFFFAOYSA-N
MW853.08 g/mol
LogP18.25
Rot. Bonds7

About 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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

8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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 (PubChem CID 148580448) has the molecular formula C62H48N2O2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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.

Molecular Properties

Compound Name8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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
PubChem CID148580448
Molecular FormulaC62H48N2O2
Molecular Weight853.08 g/mol
Exact Mass852.37
IUPAC Name8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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
SMILESCc1ccc(C)c(N(c2ccc3cc4c(cc3c2)oc2c4cc(-c3ccccc3)c3c4cc5ccc(N(c6ccccc6C)c6cc(C)ccc6C)cc5cc4oc23)c2ccccc2C)c1
InChIInChI=1S/C62H48N2O2/c1-37-20-22-41(5)56(28-37)63(54-18-12-10-14-39(54)3)48-26-24-44-32-51-52-36-50(43-16-8-7-9-17-43)60-53-33-45-25-27-49(64(55-19-13-11-15-40(55)4)57-29-38(2)21-23-42(57)6)31-47(45)35-59(53)66-62(60)61(52)65-58(51)34-46(44)30-48/h7-36H,1-6H3
InChIKeyMYQHHVOAOFYFTM-UHFFFAOYSA-N
XLogP18.25
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.08
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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 with MolForge

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Related Compounds

8-N,23-N-di(dibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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 153201678
9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-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 155360913
9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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 155360892
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-4-phenylphenyl)-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 155362655
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-diphenyl-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;9-N,9-N,23-N,23-N-tetrakis(2,5-dimethylphenyl)-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;9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-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 159152410
8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-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;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-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 158376880
8-N,8-N,23-N,23-N-tetrakis(2,5-dimethylphenyl)-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 155362025
8,23-bis(N-(2,5-dimethylphenyl)-2-methylanilino)-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-15-carbonitrile
CID 155362341
9-N,23-N-bis(2,5-dimethylphenyl)-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 155359583
7-N,7-N,17-N,17-N-tetrakis(2-methyl-5-phenylphenyl)-12-oxapentacyclo[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 146497106
6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis(4-methylphenyl)-6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 160711272
8-N,23-N-bis(2,4-diphenylphenyl)-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 155362769

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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?
The IUPAC name of 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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 148580448) is 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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.
What is the SMILES notation for 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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?
The canonical SMILES for 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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 is Cc1ccc(C)c(N(c2ccc3cc4c(cc3c2)oc2c4cc(-c3ccccc3)c3c4cc5ccc(N(c6ccccc6C)c6cc(C)ccc6C)cc5cc4oc23)c2ccccc2C)c1.
What is the InChIKey of 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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?
The InChIKey is MYQHHVOAOFYFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2O2/c1-37-20-22-41(5)56(28-37)63(54-18-12-10-14-39(54)3)48-26-24-44-32-51-52-36-50(43-16-8-7-9-17-43)60-53-33-45-25-27-49(64(55-19-13-11-15-40(55)4)57-29-38(2)21-23-42(57)6)31-47(45)35-59(53)66-62(60)61(52)65-58(51)34-46(44)30-48/h7-36H,1-6H3.
What are the key properties of 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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?
8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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 has a molecular weight of 853.08 g/mol, XLogP of 18.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-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 is sourced from PubChem (CID 148580448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).