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

C98H64N2O2 — CID 155360181

IUPAC8-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
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)oc3ccc4oc6cc7cc(N(c8ccc(-c9ccccc9)cc8-c8ccccc8)c8ccc(-c9ccccc9)cc8-c8ccccc8)ccc7cc6c4c35)c3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C98H64N2O2/c1-9-25-65(26-10-1)73-43-49-89(83(57-73)69-33-17-5-18-34-69)99(90-50-44-74(66-27-11-2-12-28-66)58-84(90)70-35-19-6-20-36-70)81-47-41-77-61-87-95(63-79(77)55-81)101-93-53-54-94-98(97(87)93)88-62-78-42-48-82(56-80(78)64-96(88)102-94)100(91-51-45-75(67-29-13-3-14-30-67)59-85(91)71-37-21-7-22-38-71)92-52-46-76(68-31-15-4-16-32-68)60-86(92)72-39-23-8-24-40-72/h1-64H
InChIKeyXZAOIWJJZQSWQN-UHFFFAOYSA-N
MW1301.60 g/mol
LogP28.07
Rot. Bonds14

About 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

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 (PubChem CID 155360181) 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)-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.

Molecular Properties

Compound Name8-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
PubChem CID155360181
Molecular FormulaC98H64N2O2
Molecular Weight1301.60 g/mol
Exact Mass1300.50
IUPAC Name8-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
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)oc3ccc4oc6cc7cc(N(c8ccc(-c9ccccc9)cc8-c8ccccc8)c8ccc(-c9ccccc9)cc8-c8ccccc8)ccc7cc6c4c35)c3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C98H64N2O2/c1-9-25-65(26-10-1)73-43-49-89(83(57-73)69-33-17-5-18-34-69)99(90-50-44-74(66-27-11-2-12-28-66)58-84(90)70-35-19-6-20-36-70)81-47-41-77-61-87-95(63-79(77)55-81)101-93-53-54-94-98(97(87)93)88-62-78-42-48-82(56-80(78)64-96(88)102-94)100(91-51-45-75(67-29-13-3-14-30-67)59-85(91)71-37-21-7-22-38-71)92-52-46-76(68-31-15-4-16-32-68)60-86(92)72-39-23-8-24-40-72/h1-64H
InChIKeyXZAOIWJJZQSWQN-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)-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 with MolForge

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Related Compounds

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(2,4-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
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
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
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
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
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-diphenyl-9-N,23-N-bis(2-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 155361206
7-N,17-N-bis[2-(4-tert-butylphenyl)phenyl]-17-N-(2-phenylphenyl)-7-N-(3-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 168753310
7-N,17-N-bis(2-phenylphenyl)-7-N-(4-phenylphenyl)-17-N-[2-(4-propan-2-ylphenyl)phenyl]-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 168753234
17-N,17-N-bis(2-phenylphenyl)-7-N-(4-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)phenyl]-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 168753218
7-N,17-N-bis(4-tert-butyl-2-phenylphenyl)-7-N,17-N-bis(2-methylphenyl)-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 168753355

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)oc3ccc4oc6cc7cc(N(c8ccc(-c9ccccc9)cc8-c8ccccc8)c8ccc(-c9ccccc9)cc8-c8ccccc8)ccc7cc6c4c35)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)-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?
The InChIKey is XZAOIWJJZQSWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H64N2O2/c1-9-25-65(26-10-1)73-43-49-89(83(57-73)69-33-17-5-18-34-69)99(90-50-44-74(66-27-11-2-12-28-66)58-84(90)70-35-19-6-20-36-70)81-47-41-77-61-87-95(63-79(77)55-81)101-93-53-54-94-98(97(87)93)88-62-78-42-48-82(56-80(78)64-96(88)102-94)100(91-51-45-75(67-29-13-3-14-30-67)59-85(91)71-37-21-7-22-38-71)92-52-46-76(68-31-15-4-16-32-68)60-86(92)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)-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?
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 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)-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 is sourced from PubChem (CID 155360181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).