4-[7-(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

C53H37N — CID 59318996

IUPAC4-[7-(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)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7cccc8c7c(cc6c6ccccc56)-c5ncccc5-8)ccc3-4)cc21
InChIInChI=1S/C53H37N/c1-52(2)46-17-8-7-13-35(46)36-21-18-30(25-47(36)52)31-19-22-37-38-23-20-32(27-49(38)53(3,4)48(37)26-31)42-28-44-40-15-9-14-39-41-16-10-24-54-51(41)45(50(39)40)29-43(44)34-12-6-5-11-33(34)42/h5-29H,1-4H3
InChIKeyCGTARKFVVMDSJL-UHFFFAOYSA-N
MW687.89 g/mol
LogP14.14
Rot. Bonds2

About 4-[7-(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-(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 59318996) has the molecular formula C53H37N and a molecular weight of 687.89 g/mol. Its IUPAC name is 4-[7-(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-(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 CID59318996
Molecular FormulaC53H37N
Molecular Weight687.89 g/mol
Exact Mass687.29
IUPAC Name4-[7-(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)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7cccc8c7c(cc6c6ccccc56)-c5ncccc5-8)ccc3-4)cc21
InChIInChI=1S/C53H37N/c1-52(2)46-17-8-7-13-35(46)36-21-18-30(25-47(36)52)31-19-22-37-38-23-20-32(27-49(38)53(3,4)48(37)26-31)42-28-44-40-15-9-14-39-41-16-10-24-54-51(41)45(50(39)40)29-43(44)34-12-6-5-11-33(34)42/h5-29H,1-4H3
InChIKeyCGTARKFVVMDSJL-UHFFFAOYSA-N
XLogP14.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[7-(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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Related Compounds

4-(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 59319124
4-(5,5-dimethylindeno[1,2-b]pyridin-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 59319046
4-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-4-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 59319061
2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine
CID 129255138
21-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 58569858
21-[7-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 58569373
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142

Frequently Asked Questions

What is the IUPAC name of 4-[7-(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-(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 59318996) is 4-[7-(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-(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-(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)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7cccc8c7c(cc6c6ccccc56)-c5ncccc5-8)ccc3-4)cc21.
What is the InChIKey of 4-[7-(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 CGTARKFVVMDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N/c1-52(2)46-17-8-7-13-35(46)36-21-18-30(25-47(36)52)31-19-22-37-38-23-20-32(27-49(38)53(3,4)48(37)26-31)42-28-44-40-15-9-14-39-41-16-10-24-54-51(41)45(50(39)40)29-43(44)34-12-6-5-11-33(34)42/h5-29H,1-4H3.
What are the key properties of 4-[7-(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-(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 687.89 g/mol, XLogP of 14.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(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 59318996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).