9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene

C29H33N3 — CID 89274046

IUPAC9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene
SMILESCCCCCCCCC1(c2ccc(N=[N+]=[N-])cc2)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C29H33N3/c1-4-5-6-7-8-9-18-29(23-12-14-24(15-13-23)31-32-30)27-19-21(2)10-16-25(27)26-17-11-22(3)20-28(26)29/h10-17,19-20H,4-9,18H2,1-3H3
InChIKeyOFYIWZZNQJKBEH-UHFFFAOYSA-N
MW423.60 g/mol
LogP9.31
Rot. Bonds9

About 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene

9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene (PubChem CID 89274046) has the molecular formula C29H33N3 and a molecular weight of 423.60 g/mol. Its IUPAC name is 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene.

Molecular Properties

Compound Name9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene
PubChem CID89274046
Molecular FormulaC29H33N3
Molecular Weight423.60 g/mol
Exact Mass423.27
IUPAC Name9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene
SMILESCCCCCCCCC1(c2ccc(N=[N+]=[N-])cc2)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C29H33N3/c1-4-5-6-7-8-9-18-29(23-12-14-24(15-13-23)31-32-30)27-19-21(2)10-16-25(27)26-17-11-22(3)20-28(26)29/h10-17,19-20H,4-9,18H2,1-3H3
InChIKeyOFYIWZZNQJKBEH-UHFFFAOYSA-N
XLogP9.31
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

9-hexyl-2,7,9-trimethylfluorene
CID 123978298
2,7-dichloro-9-hexyl-9-phenylfluorene
CID 59711127
2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine
CID 146208407
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
CID 173488082
CID 173488082
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene
CID 123883397
2-decoxy-1,4-dimethylbenzene;9,9-didodecyl-2,7-dimethylfluorene
CID 123681817
tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
CID 158683961
9,9-bis(azidomethyl)-2,7-dimethylfluorene
CID 118552963
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 157085258

Frequently Asked Questions

What is the IUPAC name of 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene?
The IUPAC name of 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene (CID 89274046) is 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene.
What is the SMILES notation for 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene?
The canonical SMILES for 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene is CCCCCCCCC1(c2ccc(N=[N+]=[N-])cc2)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene?
The InChIKey is OFYIWZZNQJKBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3/c1-4-5-6-7-8-9-18-29(23-12-14-24(15-13-23)31-32-30)27-19-21(2)10-16-25(27)26-17-11-22(3)20-28(26)29/h10-17,19-20H,4-9,18H2,1-3H3.
What are the key properties of 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene?
9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene has a molecular weight of 423.60 g/mol, XLogP of 9.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-azidophenyl)-2,7-dimethyl-9-octylfluorene is sourced from PubChem (CID 89274046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).