4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

C61H36N2 — CID 59319073

IUPAC4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
SMILESCC1(C)c2cc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)ccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc21
InChIInChI=1S/C61H36N2/c1-61(2)55-27-33(47-29-51-43-17-7-15-41-45-19-9-25-62-59(45)53(57(41)43)31-49(51)37-13-5-3-11-35(37)47)21-23-39(55)40-24-22-34(28-56(40)61)48-30-52-44-18-8-16-42-46-20-10-26-63-60(46)54(58(42)44)32-50(52)38-14-6-4-12-36(38)48/h3-32H,1-2H3
InChIKeyHGTLCGMJJJOCJR-UHFFFAOYSA-N
MW796.97 g/mol
LogP16.33
Rot. Bonds2

About 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (PubChem CID 59319073) has the molecular formula C61H36N2 and a molecular weight of 796.97 g/mol. Its IUPAC name is 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.

Molecular Properties

Compound Name4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
PubChem CID59319073
Molecular FormulaC61H36N2
Molecular Weight796.97 g/mol
Exact Mass796.29
IUPAC Name4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
SMILESCC1(C)c2cc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)ccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc21
InChIInChI=1S/C61H36N2/c1-61(2)55-27-33(47-29-51-43-17-7-15-41-45-19-9-25-62-59(45)53(57(41)43)31-49(51)37-13-5-3-11-35(37)47)21-23-39(55)40-24-22-34(28-56(40)61)48-30-52-44-18-8-16-42-46-20-10-26-63-60(46)54(58(42)44)32-50(52)38-14-6-4-12-36(38)48/h3-32H,1-2H3
InChIKeyHGTLCGMJJJOCJR-UHFFFAOYSA-N
XLogP16.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.97
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
The IUPAC name of 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (CID 59319073) is 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.
What is the SMILES notation for 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
The canonical SMILES for 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is CC1(C)c2cc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)ccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc21.
What is the InChIKey of 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
The InChIKey is HGTLCGMJJJOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2/c1-61(2)55-27-33(47-29-51-43-17-7-15-41-45-19-9-25-62-59(45)53(57(41)43)31-49(51)37-13-5-3-11-35(37)47)21-23-39(55)40-24-22-34(28-56(40)61)48-30-52-44-18-8-16-42-46-20-10-26-63-60(46)54(58(42)44)32-50(52)38-14-6-4-12-36(38)48/h3-32H,1-2H3.
What are the key properties of 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene has a molecular weight of 796.97 g/mol, XLogP of 16.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 59319073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).