10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine

C258H184N8O8 — CID 158789598

IUPAC10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
SMILESCC(C)c1ccc(N(c2cccc3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccc(C(C)C)cc7)c7cccc8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccccc2)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7ccc(C(C)C)c8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)c2ccccc12.CC(C)c1ccc2cc(N(c3ccccc3)c3cc4oc5ccc6oc7cc(N(c8ccccc8)c8ccc9cc(C(C)C)ccc9c8)c8ccccc8c7c6c5c4c4ccccc34)ccc2c1.c1ccc(N(c2cc3ccccc3c3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7cc8ccccc8c8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1
InChIInChI=1S/C66H40N2O2.3C64H48N2O2/c1-3-21-43(22-4-1)67(55-37-41-19-7-9-25-45(41)47-27-11-13-29-49(47)55)57-39-61-63(53-33-17-15-31-51(53)57)65-59(69-61)35-36-60-66(65)64-54-34-18-16-32-52(54)58(40-62(64)70-60)68(44-23-5-2-6-24-44)56-38-42-20-8-10-26-46(42)48-28-12-14-30-50(48)56;1-39(2)41-27-31-45(32-28-41)65(53-25-13-17-43-15-5-7-19-47(43)53)55-37-59-61(51-23-11-9-21-49(51)55)63-57(67-59)35-36-58-64(63)62-52-24-12-10-22-50(52)56(38-60(62)68-58)66(46-33-29-42(30-34-46)40(3)4)54-26-14-18-44-16-6-8-20-48(44)54;1-39(2)43-31-33-53(47-25-13-11-23-45(43)47)65(41-19-7-5-8-20-41)55-37-59-61(51-29-17-15-27-49(51)55)63-57(67-59)35-36-58-64(63)62-52-30-18-16-28-50(52)56(38-60(62)68-58)66(42-21-9-6-10-22-42)54-34-32-44(40(3)4)46-24-12-14-26-48(46)54;1-39(2)41-23-25-45-35-49(29-27-43(45)33-41)65(47-15-7-5-8-16-47)55-37-59-61(53-21-13-11-19-51(53)55)63-57(67-59)31-32-58-64(63)62-54-22-14-12-20-52(54)56(38-60(62)68-58)66(48-17-9-6-10-18-48)50-30-28-44-34-42(40(3)4)24-26-46(44)36-50/h1-40H;3*5-40H,1-4H3
InChIKeyISCLBQFEIANSOO-UHFFFAOYSA-N
MW3524.36 g/mol
LogP77.20
Rot. Bonds30

About 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine

10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine (PubChem CID 158789598) has the molecular formula C258H184N8O8 and a molecular weight of 3524.36 g/mol. Its IUPAC name is 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine.

Molecular Properties

Compound Name10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
PubChem CID158789598
Molecular FormulaC258H184N8O8
Molecular Weight3524.36 g/mol
Exact Mass3521.42
IUPAC Name10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
SMILESCC(C)c1ccc(N(c2cccc3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccc(C(C)C)cc7)c7cccc8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccccc2)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7ccc(C(C)C)c8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)c2ccccc12.CC(C)c1ccc2cc(N(c3ccccc3)c3cc4oc5ccc6oc7cc(N(c8ccccc8)c8ccc9cc(C(C)C)ccc9c8)c8ccccc8c7c6c5c4c4ccccc34)ccc2c1.c1ccc(N(c2cc3ccccc3c3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7cc8ccccc8c8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1
InChIInChI=1S/C66H40N2O2.3C64H48N2O2/c1-3-21-43(22-4-1)67(55-37-41-19-7-9-25-45(41)47-27-11-13-29-49(47)55)57-39-61-63(53-33-17-15-31-51(53)57)65-59(69-61)35-36-60-66(65)64-54-34-18-16-32-52(54)58(40-62(64)70-60)68(44-23-5-2-6-24-44)56-38-42-20-8-10-26-46(42)48-28-12-14-30-50(48)56;1-39(2)41-27-31-45(32-28-41)65(53-25-13-17-43-15-5-7-19-47(43)53)55-37-59-61(51-23-11-9-21-49(51)55)63-57(67-59)35-36-58-64(63)62-52-24-12-10-22-50(52)56(38-60(62)68-58)66(46-33-29-42(30-34-46)40(3)4)54-26-14-18-44-16-6-8-20-48(44)54;1-39(2)43-31-33-53(47-25-13-11-23-45(43)47)65(41-19-7-5-8-20-41)55-37-59-61(51-29-17-15-27-49(51)55)63-57(67-59)35-36-58-64(63)62-52-30-18-16-28-50(52)56(38-60(62)68-58)66(42-21-9-6-10-22-42)54-34-32-44(40(3)4)46-24-12-14-26-48(46)54;1-39(2)41-23-25-45-35-49(29-27-43(45)33-41)65(47-15-7-5-8-16-47)55-37-59-61(53-21-13-11-19-51(53)55)63-57(67-59)31-32-58-64(63)62-54-22-14-12-20-52(54)56(38-60(62)68-58)66(48-17-9-6-10-18-48)50-30-28-44-34-42(40(3)4)24-26-46(44)36-50/h1-40H;3*5-40H,1-4H3
InChIKeyISCLBQFEIANSOO-UHFFFAOYSA-N
XLogP77.20
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms274
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003524.36
LogP ≤ 577.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
The IUPAC name of 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine (CID 158789598) is 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine.
What is the SMILES notation for 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
The canonical SMILES for 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine is CC(C)c1ccc(N(c2cccc3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccc(C(C)C)cc7)c7cccc8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1.CC(C)c1ccc(N(c2ccccc2)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7ccc(C(C)C)c8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)c2ccccc12.CC(C)c1ccc2cc(N(c3ccccc3)c3cc4oc5ccc6oc7cc(N(c8ccccc8)c8ccc9cc(C(C)C)ccc9c8)c8ccccc8c7c6c5c4c4ccccc34)ccc2c1.c1ccc(N(c2cc3ccccc3c3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7cc8ccccc8c8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1.
What is the InChIKey of 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
The InChIKey is ISCLBQFEIANSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2.3C64H48N2O2/c1-3-21-43(22-4-1)67(55-37-41-19-7-9-25-45(41)47-27-11-13-29-49(47)55)57-39-61-63(53-33-17-15-31-51(53)57)65-59(69-61)35-36-60-66(65)64-54-34-18-16-32-52(54)58(40-62(64)70-60)68(44-23-5-2-6-24-44)56-38-42-20-8-10-26-46(42)48-28-12-14-30-50(48)56;1-39(2)41-27-31-45(32-28-41)65(53-25-13-17-43-15-5-7-19-47(43)53)55-37-59-61(51-23-11-9-21-49(51)55)63-57(67-59)35-36-58-64(63)62-52-24-12-10-22-50(52)56(38-60(62)68-58)66(46-33-29-42(30-34-46)40(3)4)54-26-14-18-44-16-6-8-20-48(44)54;1-39(2)43-31-33-53(47-25-13-11-23-45(43)47)65(41-19-7-5-8-20-41)55-37-59-61(51-29-17-15-27-49(51)55)63-57(67-59)35-36-58-64(63)62-52-30-18-16-28-50(52)56(38-60(62)68-58)66(42-21-9-6-10-22-42)54-34-32-44(40(3)4)46-24-12-14-26-48(46)54;1-39(2)41-23-25-45-35-49(29-27-43(45)33-41)65(47-15-7-5-8-16-47)55-37-59-61(53-21-13-11-19-51(53)55)63-57(67-59)31-32-58-64(63)62-54-22-14-12-20-52(54)56(38-60(62)68-58)66(48-17-9-6-10-18-48)50-30-28-44-34-42(40(3)4)24-26-46(44)36-50/h1-40H;3*5-40H,1-4H3.
What are the key properties of 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine has a molecular weight of 3524.36 g/mol, XLogP of 77.20, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine is sourced from PubChem (CID 158789598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).