16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

C42H29N3 — CID 135212432

IUPAC16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5nc6c7ccccc7c7ccccc7n6c54)cc3)cccc21
InChIInChI=1S/C42H29N3/c1-42(2)34-18-8-5-15-32(34)38-28(17-11-19-35(38)42)26-22-24-27(25-23-26)44-37-21-10-7-16-33(37)39-41(44)45-36-20-9-6-13-30(36)29-12-3-4-14-31(29)40(45)43-39/h3-25H,1-2H3
InChIKeyMJPUYNPUZSNPBE-UHFFFAOYSA-N
MW575.72 g/mol
LogP10.71
Rot. Bonds2

About 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene (PubChem CID 135212432) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
PubChem CID135212432
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5nc6c7ccccc7c7ccccc7n6c54)cc3)cccc21
InChIInChI=1S/C42H29N3/c1-42(2)34-18-8-5-15-32(34)38-28(17-11-19-35(38)42)26-22-24-27(25-23-26)44-37-21-10-7-16-33(37)39-41(44)45-36-20-9-6-13-30(36)29-12-3-4-14-31(29)40(45)43-39/h3-25H,1-2H3
InChIKeyMJPUYNPUZSNPBE-UHFFFAOYSA-N
XLogP10.71
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene with MolForge

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Related Compounds

20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine
CID 158846525
16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
CID 135212588
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(16-phenyl-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaen-10-yl)phenyl]fluoren-4-amine
CID 159260670
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166960980
5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one
CID 126543784
9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 90059498
9,9-dimethyl-N-phenyl-N-[4-[4-(24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine
CID 162073988
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-5-phenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169039615
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344

Frequently Asked Questions

What is the IUPAC name of 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene?
The IUPAC name of 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene (CID 135212432) is 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene.
What is the SMILES notation for 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene?
The canonical SMILES for 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene is CC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5nc6c7ccccc7c7ccccc7n6c54)cc3)cccc21.
What is the InChIKey of 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene?
The InChIKey is MJPUYNPUZSNPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-42(2)34-18-8-5-15-32(34)38-28(17-11-19-35(38)42)26-22-24-27(25-23-26)44-37-21-10-7-16-33(37)39-41(44)45-36-20-9-6-13-30(36)29-12-3-4-14-31(29)40(45)43-39/h3-25H,1-2H3.
What are the key properties of 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene?
16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene has a molecular weight of 575.72 g/mol, XLogP of 10.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene is sourced from PubChem (CID 135212432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).