15-methyl-8-N,8-N,23-N,23-N-tetrakis(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

C75H50N2O2 — CID 146886657

IUPAC15-methyl-8-N,8-N,23-N,23-N-tetrakis(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
SMILESCc1cc2c3cc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4cc3oc2c2c1oc1cc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3cc12
InChIInChI=1S/C75H50N2O2/c1-49-42-69-68-45-58-30-40-66(76(62-32-22-54(23-33-62)50-14-6-2-7-15-50)63-34-24-55(25-35-63)51-16-8-3-9-17-51)43-60(58)47-71(68)79-75(69)73-70-46-59-31-41-67(44-61(59)48-72(70)78-74(49)73)77(64-36-26-56(27-37-64)52-18-10-4-11-19-52)65-38-28-57(29-39-65)53-20-12-5-13-21-53/h2-48H,1H3
InChIKeySXHHKBBMIDOXFW-UHFFFAOYSA-N
MW1011.24 g/mol
LogP21.71
Rot. Bonds10

About 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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

15-methyl-8-N,8-N,23-N,23-N-tetrakis(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 (PubChem CID 146886657) has the molecular formula C75H50N2O2 and a molecular weight of 1011.24 g/mol. Its IUPAC name is 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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.

Molecular Properties

Compound Name15-methyl-8-N,8-N,23-N,23-N-tetrakis(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
PubChem CID146886657
Molecular FormulaC75H50N2O2
Molecular Weight1011.24 g/mol
Exact Mass1010.39
IUPAC Name15-methyl-8-N,8-N,23-N,23-N-tetrakis(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
SMILESCc1cc2c3cc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4cc3oc2c2c1oc1cc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3cc12
InChIInChI=1S/C75H50N2O2/c1-49-42-69-68-45-58-30-40-66(76(62-32-22-54(23-33-62)50-14-6-2-7-15-50)63-34-24-55(25-35-63)51-16-8-3-9-17-51)43-60(58)47-71(68)79-75(69)73-70-46-59-31-41-67(44-61(59)48-72(70)78-74(49)73)77(64-36-26-56(27-37-64)52-18-10-4-11-19-52)65-38-28-57(29-39-65)53-20-12-5-13-21-53/h2-48H,1H3
InChIKeySXHHKBBMIDOXFW-UHFFFAOYSA-N
XLogP21.71
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.24
LogP ≤ 521.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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 with MolForge

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Related Compounds

8-N,23-N-diphenyl-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
CID 155360511
N,N-bis(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),5,7,9,11,15,18,20,22,24,26-tridecaen-9-amine
CID 155361287
8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(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 155362728
9-N,23-N-bis(2,6-dimethylphenyl)-16-phenyl-9-N,23-N-bis(4-phenylphenyl)-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 155362152
8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-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 147127485
15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine
CID 155360220
2,16-dimethyl-9-N,9-N,23-N,23-N-tetraphenyl-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 155361604
2,16-dimethyl-9-N,23-N-bis(4-methylphenyl)-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 155362157
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
9-N,23-N-bis(2-methyl-5-phenylphenyl)-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
CID 155360305
9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N,2-triphenyl-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 155361228
16-methoxy-9-N,9-N,23-N,23-N-tetraphenyl-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 155362944

Frequently Asked Questions

What is the IUPAC name of 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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?
The IUPAC name of 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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 (CID 146886657) is 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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.
What is the SMILES notation for 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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?
The canonical SMILES for 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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 is Cc1cc2c3cc4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4cc3oc2c2c1oc1cc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3cc12.
What is the InChIKey of 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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?
The InChIKey is SXHHKBBMIDOXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N2O2/c1-49-42-69-68-45-58-30-40-66(76(62-32-22-54(23-33-62)50-14-6-2-7-15-50)63-34-24-55(25-35-63)51-16-8-3-9-17-51)43-60(58)47-71(68)79-75(69)73-70-46-59-31-41-67(44-61(59)48-72(70)78-74(49)73)77(64-36-26-56(27-37-64)52-18-10-4-11-19-52)65-38-28-57(29-39-65)53-20-12-5-13-21-53/h2-48H,1H3.
What are the key properties of 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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?
15-methyl-8-N,8-N,23-N,23-N-tetrakis(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 has a molecular weight of 1011.24 g/mol, XLogP of 21.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-8-N,8-N,23-N,23-N-tetrakis(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 is sourced from PubChem (CID 146886657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).