8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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

C98H64N2O2 — CID 155645029

IUPAC8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)oc3c5ccc4c5cc6ccc(N(c7ccc(-c8ccccc8)cc7-c7ccccc7)c7ccc(-c8ccccc8)cc7-c7ccccc7)cc6cc5oc43)c3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C98H64N2O2/c1-9-25-65(26-10-1)73-43-51-91(85(57-73)69-33-17-5-18-34-69)99(92-52-44-74(66-27-11-2-12-28-66)58-86(92)70-35-19-6-20-36-70)81-47-41-77-61-89-83-49-50-84-90-62-78-42-48-82(56-80(78)64-96(90)102-98(84)97(83)101-95(89)63-79(77)55-81)100(93-53-45-75(67-29-13-3-14-30-67)59-87(93)71-37-21-7-22-38-71)94-54-46-76(68-31-15-4-16-32-68)60-88(94)72-39-23-8-24-40-72/h1-64H
InChIKeyTVMVPKCJTQZMER-UHFFFAOYSA-N
MW1301.60 g/mol
LogP28.07
Rot. Bonds14

About 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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 (PubChem CID 155645029) has the molecular formula C98H64N2O2 and a molecular weight of 1301.60 g/mol. Its IUPAC name is 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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.

Molecular Properties

Compound Name8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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
PubChem CID155645029
Molecular FormulaC98H64N2O2
Molecular Weight1301.60 g/mol
Exact Mass1300.50
IUPAC Name8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)oc3c5ccc4c5cc6ccc(N(c7ccc(-c8ccccc8)cc7-c7ccccc7)c7ccc(-c8ccccc8)cc7-c7ccccc7)cc6cc5oc43)c3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C98H64N2O2/c1-9-25-65(26-10-1)73-43-51-91(85(57-73)69-33-17-5-18-34-69)99(92-52-44-74(66-27-11-2-12-28-66)58-86(92)70-35-19-6-20-36-70)81-47-41-77-61-89-83-49-50-84-90-62-78-42-48-82(56-80(78)64-96(90)102-98(84)97(83)101-95(89)63-79(77)55-81)100(93-53-45-75(67-29-13-3-14-30-67)59-87(93)71-37-21-7-22-38-71)94-54-46-76(68-31-15-4-16-32-68)60-88(94)72-39-23-8-24-40-72/h1-64H
InChIKeyTVMVPKCJTQZMER-UHFFFAOYSA-N
XLogP28.07
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.60
LogP ≤ 528.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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 with MolForge

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Related Compounds

8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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 155360181
9-N,23-N-bis(2,4-diphenylphenyl)-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 155360309
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-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
7-N,17-N,17-N-tris(2-phenylphenyl)-7-N-(4-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 168753210
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
9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2,4-diphenylphenyl)-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 155363140
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
8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(2-methyl-5-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 155362653
N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167252565
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
7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-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 168753176

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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?
The IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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 155645029) is 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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.
What is the SMILES notation for 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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?
The canonical SMILES for 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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 is c1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)oc3c5ccc4c5cc6ccc(N(c7ccc(-c8ccccc8)cc7-c7ccccc7)c7ccc(-c8ccccc8)cc7-c7ccccc7)cc6cc5oc43)c3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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?
The InChIKey is TVMVPKCJTQZMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H64N2O2/c1-9-25-65(26-10-1)73-43-51-91(85(57-73)69-33-17-5-18-34-69)99(92-52-44-74(66-27-11-2-12-28-66)58-86(92)70-35-19-6-20-36-70)81-47-41-77-61-89-83-49-50-84-90-62-78-42-48-82(56-80(78)64-96(90)102-98(84)97(83)101-95(89)63-79(77)55-81)100(93-53-45-75(67-29-13-3-14-30-67)59-87(93)71-37-21-7-22-38-71)94-54-46-76(68-31-15-4-16-32-68)60-88(94)72-39-23-8-24-40-72/h1-64H.
What are the key properties of 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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 has a molecular weight of 1301.60 g/mol, XLogP of 28.07, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-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 is sourced from PubChem (CID 155645029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).