5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene

C55H31FN4 — CID 138517262

IUPAC5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene
SMILESFC12c3c(cccc3-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)ccc1c43)-n1c3cccc(-n4c5ccccc5c5ccccc54)c3c3cccc2c31
InChIInChI=1S/C55H31FN4/c56-55-38-20-11-19-37-50-45(57-40-21-6-1-14-32(40)33-15-2-7-22-41(33)57)26-12-27-46(50)60(53(37)38)49-29-13-28-48(52(49)55)59-44-25-10-5-18-36(44)51-47(31-30-39(55)54(51)59)58-42-23-8-3-16-34(42)35-17-4-9-24-43(35)58/h1-31H
InChIKeyVUDWIDICFCWZJD-UHFFFAOYSA-N
MW766.88 g/mol
LogP13.96
Rot. Bonds2

About 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene

5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene (PubChem CID 138517262) has the molecular formula C55H31FN4 and a molecular weight of 766.88 g/mol. Its IUPAC name is 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene.

Molecular Properties

Compound Name5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene
PubChem CID138517262
Molecular FormulaC55H31FN4
Molecular Weight766.88 g/mol
Exact Mass766.25
IUPAC Name5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene
SMILESFC12c3c(cccc3-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)ccc1c43)-n1c3cccc(-n4c5ccccc5c5ccccc54)c3c3cccc2c31
InChIInChI=1S/C55H31FN4/c56-55-38-20-11-19-37-50-45(57-40-21-6-1-14-32(40)33-15-2-7-22-41(33)57)26-12-27-46(50)60(53(37)38)49-29-13-28-48(52(49)55)59-44-25-10-5-18-36(44)51-47(31-30-39(55)54(51)59)58-42-23-8-3-16-34(42)35-17-4-9-24-43(35)58/h1-31H
InChIKeyVUDWIDICFCWZJD-UHFFFAOYSA-N
XLogP13.96
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.88
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene?
The IUPAC name of 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene (CID 138517262) is 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene.
What is the SMILES notation for 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene?
The canonical SMILES for 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene is FC12c3c(cccc3-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)ccc1c43)-n1c3cccc(-n4c5ccccc5c5ccccc54)c3c3cccc2c31.
What is the InChIKey of 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene?
The InChIKey is VUDWIDICFCWZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31FN4/c56-55-38-20-11-19-37-50-45(57-40-21-6-1-14-32(40)33-15-2-7-22-41(33)57)26-12-27-46(50)60(53(37)38)49-29-13-28-48(52(49)55)59-44-25-10-5-18-36(44)51-47(31-30-39(55)54(51)59)58-42-23-8-3-16-34(42)35-17-4-9-24-43(35)58/h1-31H.
What are the key properties of 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene?
5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene has a molecular weight of 766.88 g/mol, XLogP of 13.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,24-di(carbazol-9-yl)-1-fluoro-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20(25),21,23,26(32),27,29-pentadecaene is sourced from PubChem (CID 138517262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).