4-[7-[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]-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

C76H48N2 — CID 59319050

IUPAC4-[7-[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]-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(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7cccc8c7c(cc6c6ccccc56)-c5ncccc5-8)ccc3-4)ccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc21
InChIInChI=1S/C76H48N2/c1-75(2)67-33-41(23-27-49(67)51-29-25-43(35-69(51)75)59-37-63-55-19-9-17-53-57-21-11-31-77-73(57)65(71(53)55)39-61(63)47-15-7-5-13-45(47)59)42-24-28-50-52-30-26-44(36-70(52)76(3,4)68(50)34-42)60-38-64-56-20-10-18-54-58-22-12-32-78-74(58)66(72(54)56)40-62(64)48-16-8-6-14-46(48)60/h5-40H,1-4H3
InChIKeyALUTYYYPEZZFNL-UHFFFAOYSA-N
MW989.23 g/mol
LogP20.30
Rot. Bonds3

About 4-[7-[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]-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-[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]-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 59319050) has the molecular formula C76H48N2 and a molecular weight of 989.23 g/mol. Its IUPAC name is 4-[7-[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]-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-[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]-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 CID59319050
Molecular FormulaC76H48N2
Molecular Weight989.23 g/mol
Exact Mass988.38
IUPAC Name4-[7-[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]-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(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7cccc8c7c(cc6c6ccccc56)-c5ncccc5-8)ccc3-4)ccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc21
InChIInChI=1S/C76H48N2/c1-75(2)67-33-41(23-27-49(67)51-29-25-43(35-69(51)75)59-37-63-55-19-9-17-53-57-21-11-31-77-73(57)65(71(53)55)39-61(63)47-15-7-5-13-45(47)59)42-24-28-50-52-30-26-44(36-70(52)76(3,4)68(50)34-42)60-38-64-56-20-10-18-54-58-22-12-32-78-74(58)66(72(54)56)40-62(64)48-16-8-6-14-46(48)60/h5-40H,1-4H3
InChIKeyALUTYYYPEZZFNL-UHFFFAOYSA-N
XLogP20.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.23
LogP ≤ 520.30
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-[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]-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-[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]-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-[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]-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 59319050) is 4-[7-[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]-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-[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]-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-[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]-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(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7cccc8c7c(cc6c6ccccc56)-c5ncccc5-8)ccc3-4)ccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc21.
What is the InChIKey of 4-[7-[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]-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 ALUTYYYPEZZFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N2/c1-75(2)67-33-41(23-27-49(67)51-29-25-43(35-69(51)75)59-37-63-55-19-9-17-53-57-21-11-31-77-73(57)65(71(53)55)39-61(63)47-15-7-5-13-45(47)59)42-24-28-50-52-30-26-44(36-70(52)76(3,4)68(50)34-42)60-38-64-56-20-10-18-54-58-22-12-32-78-74(58)66(72(54)56)40-62(64)48-16-8-6-14-46(48)60/h5-40H,1-4H3.
What are the key properties of 4-[7-[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]-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-[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]-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 989.23 g/mol, XLogP of 20.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[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]-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 59319050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).