11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene

C59H33N3 — CID 154967818

IUPAC11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccc4ccc6c7ccccc7n7c8ccccc8n5c3c4c67)ccc21
InChIInChI=1S/C59H33N3/c1-6-18-46-36(13-1)37-14-2-7-19-47(37)59(46)48-20-8-3-15-38(48)43-31-35(27-30-49(43)59)60-50-21-9-5-17-40(50)44-32-55-45(33-54(44)60)42-29-26-34-25-28-41-39-16-4-10-22-51(39)61-52-23-11-12-24-53(52)62(55)58(42)56(34)57(41)61/h1-33H
InChIKeyDKBZLDJPAVRNDA-UHFFFAOYSA-N
MW783.93 g/mol
LogP14.84
Rot. Bonds1

About 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene

11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene (PubChem CID 154967818) has the molecular formula C59H33N3 and a molecular weight of 783.93 g/mol. Its IUPAC name is 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene.

Molecular Properties

Compound Name11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene
PubChem CID154967818
Molecular FormulaC59H33N3
Molecular Weight783.93 g/mol
Exact Mass783.27
IUPAC Name11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccc4ccc6c7ccccc7n7c8ccccc8n5c3c4c67)ccc21
InChIInChI=1S/C59H33N3/c1-6-18-46-36(13-1)37-14-2-7-19-47(37)59(46)48-20-8-3-15-38(48)43-31-35(27-30-49(43)59)60-50-21-9-5-17-40(50)44-32-55-45(33-54(44)60)42-29-26-34-25-28-41-39-16-4-10-22-51(39)61-52-23-11-12-24-53(52)62(55)58(42)56(34)57(41)61/h1-33H
InChIKeyDKBZLDJPAVRNDA-UHFFFAOYSA-N
XLogP14.84
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.93
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene with MolForge

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Related Compounds

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5-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174282892
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-14-(9,9-dimethylfluoren-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122469773
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
3',6'-di(carbazol-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 167177349
4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965403
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
CID 134551753
CID 134551753
6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 167126460
4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
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2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941

Frequently Asked Questions

What is the IUPAC name of 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene?
The IUPAC name of 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene (CID 154967818) is 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene.
What is the SMILES notation for 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene?
The canonical SMILES for 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccc4ccc6c7ccccc7n7c8ccccc8n5c3c4c67)ccc21.
What is the InChIKey of 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene?
The InChIKey is DKBZLDJPAVRNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H33N3/c1-6-18-46-36(13-1)37-14-2-7-19-47(37)59(46)48-20-8-3-15-38(48)43-31-35(27-30-49(43)59)60-50-21-9-5-17-40(50)44-32-55-45(33-54(44)60)42-29-26-34-25-28-41-39-16-4-10-22-51(39)61-52-23-11-12-24-53(52)62(55)58(42)56(34)57(41)61/h1-33H.
What are the key properties of 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene?
11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene has a molecular weight of 783.93 g/mol, XLogP of 14.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,9'-spirobi[fluorene]-3-yl)-1,11,28-triazadecacyclo[19.13.3.02,14.04,12.05,10.015,35.018,36.022,27.028,37.029,34]heptatriaconta-2(14),3,5,7,9,12,15(35),16,18(36),19,21(37),22,24,26,29,31,33-heptadecaene is sourced from PubChem (CID 154967818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).