8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine

C86H52F2N2O3 — CID 165026586

IUPAC8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
SMILESFc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)oc2cc4c(cc23)oc2cc3c(cc24)oc2cc(N(c4ccc(F)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc23)cc1
InChIInChI=1S/C86H52F2N2O3/c87-57-29-33-59(34-30-57)89(61-37-41-67-65-25-13-15-27-75(65)85(77(67)45-61,53-17-5-1-6-18-53)54-19-7-2-8-20-54)63-39-43-69-71-49-83-73(51-81(71)91-79(69)47-63)74-52-82-72(50-84(74)93-83)70-44-40-64(48-80(70)92-82)90(60-35-31-58(88)32-36-60)62-38-42-68-66-26-14-16-28-76(66)86(78(68)46-62,55-21-9-3-10-22-55)56-23-11-4-12-24-56/h1-52H
InChIKeyLZEJXTUGCSRSSN-UHFFFAOYSA-N
MW1199.37 g/mol
LogP23.33
Rot. Bonds10

About 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine

8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine (PubChem CID 165026586) has the molecular formula C86H52F2N2O3 and a molecular weight of 1199.37 g/mol. Its IUPAC name is 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine.

Molecular Properties

Compound Name8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
PubChem CID165026586
Molecular FormulaC86H52F2N2O3
Molecular Weight1199.37 g/mol
Exact Mass1198.39
IUPAC Name8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
SMILESFc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)oc2cc4c(cc23)oc2cc3c(cc24)oc2cc(N(c4ccc(F)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc23)cc1
InChIInChI=1S/C86H52F2N2O3/c87-57-29-33-59(34-30-57)89(61-37-41-67-65-25-13-15-27-75(65)85(77(67)45-61,53-17-5-1-6-18-53)54-19-7-2-8-20-54)63-39-43-69-71-49-83-73(51-81(71)91-79(69)47-63)74-52-82-72(50-84(74)93-83)70-44-40-64(48-80(70)92-82)90(60-35-31-58(88)32-36-60)62-38-42-68-66-26-14-16-28-76(66)86(78(68)46-62,55-21-9-3-10-22-55)56-23-11-4-12-24-56/h1-52H
InChIKeyLZEJXTUGCSRSSN-UHFFFAOYSA-N
XLogP23.33
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.37
LogP ≤ 523.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine with MolForge

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Related Compounds

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N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
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2-N,2-N'-di(dibenzofuran-3-yl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
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8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235118
7-N,19-N-bis(4-phenylphenyl)-7-N,19-N-bis(9,9'-spirobi[fluorene]-2-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303332
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,10,10,22,22-hexakis-phenylhexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
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CID 67964130

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
The IUPAC name of 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine (CID 165026586) is 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine.
What is the SMILES notation for 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
The canonical SMILES for 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine is Fc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)oc2cc4c(cc23)oc2cc3c(cc24)oc2cc(N(c4ccc(F)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc23)cc1.
What is the InChIKey of 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
The InChIKey is LZEJXTUGCSRSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52F2N2O3/c87-57-29-33-59(34-30-57)89(61-37-41-67-65-25-13-15-27-75(65)85(77(67)45-61,53-17-5-1-6-18-53)54-19-7-2-8-20-54)63-39-43-69-71-49-83-73(51-81(71)91-79(69)47-63)74-52-82-72(50-84(74)93-83)70-44-40-64(48-80(70)92-82)90(60-35-31-58(88)32-36-60)62-38-42-68-66-26-14-16-28-76(66)86(78(68)46-62,55-21-9-3-10-22-55)56-23-11-4-12-24-56/h1-52H.
What are the key properties of 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine has a molecular weight of 1199.37 g/mol, XLogP of 23.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine is sourced from PubChem (CID 165026586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).