11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine

C68H61FN4O2 — CID 134597261

IUPAC11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cn4)c4ccoc24)C3(c2ccccc2)c2cccc(F)c2)nc1
InChIInChI=1S/C68H61FN4O2/c1-42-23-33-58(70-40-42)73(50-31-26-44(27-32-50)66(5,6)7)56-39-54-62(64-60(56)52-21-14-15-22-57(52)75-64)61-53(68(54,45-17-12-11-13-18-45)46-19-16-20-48(69)37-46)38-55(51-35-36-74-63(51)61)72(49-29-24-43(25-30-49)65(2,3)4)59-34-28-47(41-71-59)67(8,9)10/h11-41H,1-10H3
InChIKeyOQNOXPNPRQZBAD-UHFFFAOYSA-N
MW985.26 g/mol
LogP18.76
Rot. Bonds8

About 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine

11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine (PubChem CID 134597261) has the molecular formula C68H61FN4O2 and a molecular weight of 985.26 g/mol. Its IUPAC name is 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine.

Molecular Properties

Compound Name11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine
PubChem CID134597261
Molecular FormulaC68H61FN4O2
Molecular Weight985.26 g/mol
Exact Mass984.48
IUPAC Name11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cn4)c4ccoc24)C3(c2ccccc2)c2cccc(F)c2)nc1
InChIInChI=1S/C68H61FN4O2/c1-42-23-33-58(70-40-42)73(50-31-26-44(27-32-50)66(5,6)7)56-39-54-62(64-60(56)52-21-14-15-22-57(52)75-64)61-53(68(54,45-17-12-11-13-18-45)46-19-16-20-48(69)37-46)38-55(51-35-36-74-63(51)61)72(49-29-24-43(25-30-49)65(2,3)4)59-34-28-47(41-71-59)67(8,9)10/h11-41H,1-10H3
InChIKeyOQNOXPNPRQZBAD-UHFFFAOYSA-N
XLogP18.76
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.26
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine with MolForge

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Related Compounds

17-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-11-N-(4-tert-butylphenyl)-14-(3-fluorophenyl)-11-N,17-N-bis(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine
CID 139355016
N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine
CID 129130297
12-N,18-N-bis(4-tert-butylphenyl)-15-(3-fluorophenyl)-12-N,18-N-bis(4-methyl-2-phenylphenyl)-15-phenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 126651779
12-N,20-N,20-N-tris(4-tert-butylphenyl)-12-N-(5-tert-butyl-2-pyridinyl)spiro[4-oxaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2,5,7,9,11,13,17(22),18,20,23,25,27-tridecaene-15,9'-fluorene]-12,20-diamine
CID 170658041
N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
CID 140786782
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-dinaphthalen-1-yl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163462608
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-diphenyl-12-N,18-N-bis(4-trimethylsilylphenyl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,12-N,18-N,18-N-tetraphenyl-15-(4-trimethylsilylphenyl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-15-[4-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163446461
12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163820782
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140775776
5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140764938
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 146526608
9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 171575701

Frequently Asked Questions

What is the IUPAC name of 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine?
The IUPAC name of 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine (CID 134597261) is 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine.
What is the SMILES notation for 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine?
The canonical SMILES for 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cn4)c4ccoc24)C3(c2ccccc2)c2cccc(F)c2)nc1.
What is the InChIKey of 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine?
The InChIKey is OQNOXPNPRQZBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H61FN4O2/c1-42-23-33-58(70-40-42)73(50-31-26-44(27-32-50)66(5,6)7)56-39-54-62(64-60(56)52-21-14-15-22-57(52)75-64)61-53(68(54,45-17-12-11-13-18-45)46-19-16-20-48(69)37-46)38-55(51-35-36-74-63(51)61)72(49-29-24-43(25-30-49)65(2,3)4)59-34-28-47(41-71-59)67(8,9)10/h11-41H,1-10H3.
What are the key properties of 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine?
11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine has a molecular weight of 985.26 g/mol, XLogP of 18.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine is sourced from PubChem (CID 134597261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).