15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C77H48N2 — CID 170015359

IUPAC15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4cc21)c1ccccc1n3-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C77H48N2/c1-75(2)65-43-71-55(49-25-9-17-37-67(49)78(71)69-39-19-35-63-73(69)51-27-7-15-33-61(51)76(63)57-29-11-3-21-45(57)46-22-4-12-30-58(46)76)41-53(65)54-42-56-50-26-10-18-38-68(50)79(72(56)44-66(54)75)70-40-20-36-64-74(70)52-28-8-16-34-62(52)77(64)59-31-13-5-23-47(59)48-24-6-14-32-60(48)77/h3-44H,1-2H3
InChIKeyLGKHGIJBIQROPA-UHFFFAOYSA-N
MW1001.25 g/mol
LogP18.87
Rot. Bonds2

About 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 170015359) has the molecular formula C77H48N2 and a molecular weight of 1001.25 g/mol. Its IUPAC name is 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
PubChem CID170015359
Molecular FormulaC77H48N2
Molecular Weight1001.25 g/mol
Exact Mass1000.38
IUPAC Name15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4cc21)c1ccccc1n3-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C77H48N2/c1-75(2)65-43-71-55(49-25-9-17-37-67(49)78(71)69-39-19-35-63-73(69)51-27-7-15-33-61(51)76(63)57-29-11-3-21-45(57)46-22-4-12-30-58(46)76)41-53(65)54-42-56-50-26-10-18-38-68(50)79(72(56)44-66(54)75)70-40-20-36-64-74(70)52-28-8-16-34-62(52)77(64)59-31-13-5-23-47(59)48-24-6-14-32-60(48)77/h3-44H,1-2H3
InChIKeyLGKHGIJBIQROPA-UHFFFAOYSA-N
XLogP18.87
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.25
LogP ≤ 518.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

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3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
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2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione
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CID 164769001
5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
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7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
CID 89472229
5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The IUPAC name of 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 170015359) is 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4cc21)c1ccccc1n3-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The InChIKey is LGKHGIJBIQROPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H48N2/c1-75(2)65-43-71-55(49-25-9-17-37-67(49)78(71)69-39-19-35-63-73(69)51-27-7-15-33-61(51)76(63)57-29-11-3-21-45(57)46-22-4-12-30-58(46)76)41-53(65)54-42-56-50-26-10-18-38-68(50)79(72(56)44-66(54)75)70-40-20-36-64-74(70)52-28-8-16-34-62(52)77(64)59-31-13-5-23-47(59)48-24-6-14-32-60(48)77/h3-44H,1-2H3.
What are the key properties of 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 1001.25 g/mol, XLogP of 18.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 170015359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).