9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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

C214H128N6O6 — CID 159337091

About 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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

9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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 (PubChem CID 159337091) has the molecular formula C214H128N6O6 and a molecular weight of 2879.41 g/mol. Its IUPAC name is 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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.

Molecular Properties

• Compound Name: 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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
• PubChem CID: 159337091
• Molecular Formula: C214H128N6O6
• Molecular Weight: 2879.41 g/mol
• Exact Mass: 2876.99
• IUPAC Name: 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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
• SMILES: c1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7cccc8c7ccc7ccccc78)ccc6cc5c3cc24)c2cccc3c2ccc2ccccc23)cc1.c1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7cccc8ccc9ccccc9c78)ccc6cc5c3cc24)c2cccc3ccc4ccccc4c23)cc1.c1ccc2c(c1)ccc1cc(N(c3ccc4cc5c(cc4c3)oc3cc4oc6cc7cc(N(c8ccc9c(ccc%10ccccc%109)c8)c8ccc9c(ccc%10ccccc%109)c8)ccc7cc6c4cc35)c3ccc4c(ccc5ccccc54)c3)ccc12
• InChI: InChI=1S/C82H48N2O2.2C66H40N2O2/c1-5-13-67-49(9-1)17-21-55-37-63(29-33-71(55)67)83(64-30-34-72-56(38-64)22-18-50-10-2-6-14-68(50)72)61-27-25-53-43-75-77-47-78-76-44-54-26-28-62(42-60(54)46-80(76)86-82(78)48-81(77)85-79(75)45-59(53)41-61)84(65-31-35-73-57(39-65)23-19-51-11-3-7-15-69(51)73)66-32-36-74-58(40-66)24-20-52-12-4-8-16-70(52)74;1-3-17-49(18-4-1)67(59-23-11-15-43-27-25-41-13-7-9-21-53(41)65(43)59)51-31-29-45-35-55-57-39-58-56-36-46-30-32-52(34-48(46)38-62(56)70-64(58)40-63(57)69-61(55)37-47(45)33-51)68(50-19-5-2-6-20-50)60-24-12-16-44-28-26-42-14-8-10-22-54(42)66(44)60;1-3-15-47(16-4-1)67(61-23-11-21-53-51-19-9-7-13-41(51)27-31-55(53)61)49-29-25-43-35-57-59-39-60-58-36-44-26-30-50(34-46(44)38-64(58)70-66(60)40-65(59)69-63(57)37-45(43)33-49)68(48-17-5-2-6-18-48)62-24-12-22-54-52-20-10-8-14-42(52)28-32-56(54)62/h1-48H;2*1-40H
• InChIKey: LFRHFRDFUVWUEJ-UHFFFAOYSA-N
• XLogP: 62.65
• TPSA: 98.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2879.41
LogP ≤ 5	62.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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?

The IUPAC name of 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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 159337091) is 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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.

What is the SMILES notation for 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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?

The canonical SMILES for 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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 is c1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7cccc8c7ccc7ccccc78)ccc6cc5c3cc24)c2cccc3c2ccc2ccccc23)cc1.c1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7cccc8ccc9ccccc9c78)ccc6cc5c3cc24)c2cccc3ccc4ccccc4c23)cc1.c1ccc2c(c1)ccc1cc(N(c3ccc4cc5c(cc4c3)oc3cc4oc6cc7cc(N(c8ccc9c(ccc%10ccccc%109)c8)c8ccc9c(ccc%10ccccc%109)c8)ccc7cc6c4cc35)c3ccc4c(ccc5ccccc54)c3)ccc12.

What is the InChIKey of 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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?

The InChIKey is LFRHFRDFUVWUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N2O2.2C66H40N2O2/c1-5-13-67-49(9-1)17-21-55-37-63(29-33-71(55)67)83(64-30-34-72-56(38-64)22-18-50-10-2-6-14-68(50)72)61-27-25-53-43-75-77-47-78-76-44-54-26-28-62(42-60(54)46-80(76)86-82(78)48-81(77)85-79(75)45-59(53)41-61)84(65-31-35-73-57(39-65)23-19-51-11-3-7-15-69(51)73)66-32-36-74-58(40-66)24-20-52-12-4-8-16-70(52)74;1-3-17-49(18-4-1)67(59-23-11-15-43-27-25-41-13-7-9-21-53(41)65(43)59)51-31-29-45-35-55-57-39-58-56-36-46-30-32-52(34-48(46)38-62(56)70-64(58)40-63(57)69-61(55)37-47(45)33-51)68(50-19-5-2-6-20-50)60-24-12-16-44-28-26-42-14-8-10-22-54(42)66(44)60;1-3-15-47(16-4-1)67(61-23-11-21-53-51-19-9-7-13-41(51)27-31-55(53)61)49-29-25-43-35-57-59-39-60-58-36-44-26-30-50(34-46(44)38-64(58)70-66(60)40-65(59)69-63(57)37-45(43)33-49)68(48-17-5-2-6-18-48)62-24-12-22-54-52-20-10-8-14-42(52)28-32-56(54)62/h1-48H;2*1-40H.

What are the key properties of 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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?

9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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 has a molecular weight of 2879.41 g/mol, XLogP of 62.65, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-di(phenanthren-1-yl)-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;9-N,23-N-di(phenanthren-4-yl)-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;9-N,9-N,23-N,23-N-tetra(phenanthren-2-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 is sourced from PubChem (CID 159337091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).