6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine

C256H174F2N10O5Si — CID 159253870

IUPAC6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)cc6cc5c4cc3c2)cc1.Fc1ccc(N(c2ccccc2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7ccc(F)cc7)cc6cc5c4cc3c2)cc1.c1ccc(N(c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7cc8ccccc8c8ccccc78)cc6cc5c4cc3c2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6cc5c4cc3c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6cc5c4cc3c2)cc1
InChIInChI=1S/C60H38N2O.2C52H34N2O.C48H40N2OSi.C44H28F2N2O/c1-3-17-45(18-4-1)61(57-35-41-15-7-9-21-49(41)51-23-11-13-25-53(51)57)47-29-27-39-37-59-55(33-43(39)31-47)56-34-44-32-48(30-28-40(44)38-60(56)63-59)62(46-19-5-2-6-20-46)58-36-42-16-8-10-22-50(42)52-24-12-14-26-54(52)58;1-3-15-43(16-4-1)53(45-23-19-35-11-7-9-13-37(35)27-45)47-25-21-39-33-51-49(31-41(39)29-47)50-32-42-30-48(26-22-40(42)34-52(50)55-51)54(44-17-5-2-6-18-44)46-24-20-36-12-8-10-14-38(36)28-46;1-3-16-42(17-4-1)53(44-25-22-35-12-7-8-14-37(35)28-44)45-26-23-38-33-51-48(31-40(38)29-45)49-32-41-30-46(27-24-39(41)34-52(49)55-51)54(43-18-5-2-6-19-43)50-21-11-15-36-13-9-10-20-47(36)50;1-33-15-19-40(20-16-33)49(38-11-7-5-8-12-38)42-21-17-34-31-47-45(29-36(34)27-42)46-30-37-28-43(22-18-35(37)32-48(46)51-47)50(39-13-9-6-10-14-39)41-23-25-44(26-24-41)52(2,3)4;45-33-13-19-37(20-14-33)47(35-7-3-1-4-8-35)39-17-11-29-27-43-41(25-31(29)23-39)42-26-32-24-40(18-12-30(32)28-44(42)49-43)48(36-9-5-2-6-10-36)38-21-15-34(46)16-22-38/h1-38H;2*1-34H;5-32H,1-4H3;1-28H
InChIKeyKVQIVDISHNHXNN-UHFFFAOYSA-N
MW3536.35 g/mol
LogP74.52
Rot. Bonds31

About 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine

6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine (PubChem CID 159253870) has the molecular formula C256H174F2N10O5Si and a molecular weight of 3536.35 g/mol. Its IUPAC name is 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine
PubChem CID159253870
Molecular FormulaC256H174F2N10O5Si
Molecular Weight3536.35 g/mol
Exact Mass3533.34
IUPAC Name6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)cc6cc5c4cc3c2)cc1.Fc1ccc(N(c2ccccc2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7ccc(F)cc7)cc6cc5c4cc3c2)cc1.c1ccc(N(c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7cc8ccccc8c8ccccc78)cc6cc5c4cc3c2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6cc5c4cc3c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6cc5c4cc3c2)cc1
InChIInChI=1S/C60H38N2O.2C52H34N2O.C48H40N2OSi.C44H28F2N2O/c1-3-17-45(18-4-1)61(57-35-41-15-7-9-21-49(41)51-23-11-13-25-53(51)57)47-29-27-39-37-59-55(33-43(39)31-47)56-34-44-32-48(30-28-40(44)38-60(56)63-59)62(46-19-5-2-6-20-46)58-36-42-16-8-10-22-50(42)52-24-12-14-26-54(52)58;1-3-15-43(16-4-1)53(45-23-19-35-11-7-9-13-37(35)27-45)47-25-21-39-33-51-49(31-41(39)29-47)50-32-42-30-48(26-22-40(42)34-52(50)55-51)54(44-17-5-2-6-18-44)46-24-20-36-12-8-10-14-38(36)28-46;1-3-16-42(17-4-1)53(44-25-22-35-12-7-8-14-37(35)28-44)45-26-23-38-33-51-48(31-40(38)29-45)49-32-41-30-46(27-24-39(41)34-52(49)55-51)54(43-18-5-2-6-19-43)50-21-11-15-36-13-9-10-20-47(36)50;1-33-15-19-40(20-16-33)49(38-11-7-5-8-12-38)42-21-17-34-31-47-45(29-36(34)27-42)46-30-37-28-43(22-18-35(37)32-48(46)51-47)50(39-13-9-6-10-14-39)41-23-25-44(26-24-41)52(2,3)4;45-33-13-19-37(20-14-33)47(35-7-3-1-4-8-35)39-17-11-29-27-43-41(25-31(29)23-39)42-26-32-24-40(18-12-30(32)28-44(42)49-43)48(36-9-5-2-6-10-36)38-21-15-34(46)16-22-38/h1-38H;2*1-34H;5-32H,1-4H3;1-28H
InChIKeyKVQIVDISHNHXNN-UHFFFAOYSA-N
XLogP74.52
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms274
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003536.35
LogP ≤ 574.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine?
The IUPAC name of 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine (CID 159253870) is 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine.
What is the SMILES notation for 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine?
The canonical SMILES for 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine is Cc1ccc(N(c2ccccc2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7ccc([Si](C)(C)C)cc7)cc6cc5c4cc3c2)cc1.Fc1ccc(N(c2ccccc2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7ccc(F)cc7)cc6cc5c4cc3c2)cc1.c1ccc(N(c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7cc8ccccc8c8ccccc78)cc6cc5c4cc3c2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6cc5c4cc3c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc4oc5cc6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6cc5c4cc3c2)cc1.
What is the InChIKey of 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine?
The InChIKey is KVQIVDISHNHXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O.2C52H34N2O.C48H40N2OSi.C44H28F2N2O/c1-3-17-45(18-4-1)61(57-35-41-15-7-9-21-49(41)51-23-11-13-25-53(51)57)47-29-27-39-37-59-55(33-43(39)31-47)56-34-44-32-48(30-28-40(44)38-60(56)63-59)62(46-19-5-2-6-20-46)58-36-42-16-8-10-22-50(42)52-24-12-14-26-54(52)58;1-3-15-43(16-4-1)53(45-23-19-35-11-7-9-13-37(35)27-45)47-25-21-39-33-51-49(31-41(39)29-47)50-32-42-30-48(26-22-40(42)34-52(50)55-51)54(44-17-5-2-6-18-44)46-24-20-36-12-8-10-14-38(36)28-46;1-3-16-42(17-4-1)53(44-25-22-35-12-7-8-14-37(35)28-44)45-26-23-38-33-51-48(31-40(38)29-45)49-32-41-30-46(27-24-39(41)34-52(49)55-51)54(43-18-5-2-6-19-43)50-21-11-15-36-13-9-10-20-47(36)50;1-33-15-19-40(20-16-33)49(38-11-7-5-8-12-38)42-21-17-34-31-47-45(29-36(34)27-42)46-30-37-28-43(22-18-35(37)32-48(46)51-47)50(39-13-9-6-10-14-39)41-23-25-44(26-24-41)52(2,3)4;45-33-13-19-37(20-14-33)47(35-7-3-1-4-8-35)39-17-11-29-27-43-41(25-31(29)23-39)42-26-32-24-40(18-12-30(32)28-44(42)49-43)48(36-9-5-2-6-10-36)38-21-15-34(46)16-22-38/h1-38H;2*1-34H;5-32H,1-4H3;1-28H.
What are the key properties of 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine?
6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine has a molecular weight of 3536.35 g/mol, XLogP of 74.52, 31 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis(4-fluorophenyl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-dinaphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-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-6,18-diamine;6-N-(4-methylphenyl)-6-N,18-N-diphenyl-18-N-(4-trimethylsilylphenyl)-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-6,18-diamine;18-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N,18-N-diphenyl-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-6,18-diamine is sourced from PubChem (CID 159253870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).