9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane

C34H44N4 — CID 159032730

IUPAC9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane
SMILESC.C.C.C.CC(c1ccc(CN=[N+]=[N-])cc1)C(C)c1ccc(Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C30H28N4.4CH4/c1-21(25-15-11-23(12-16-25)19-32-33-31)22(2)26-17-13-24(14-18-26)20-34-29-9-5-3-7-27(29)28-8-4-6-10-30(28)34;;;;/h3-18,21-22H,19-20H2,1-2H3;4*1H4
InChIKeyJVBRMKSQFQBFCS-UHFFFAOYSA-N
MW508.75 g/mol
LogP11.10
Rot. Bonds7

About 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane

9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane (PubChem CID 159032730) has the molecular formula C34H44N4 and a molecular weight of 508.75 g/mol. Its IUPAC name is 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane.

Molecular Properties

Compound Name9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane
PubChem CID159032730
Molecular FormulaC34H44N4
Molecular Weight508.75 g/mol
Exact Mass508.36
IUPAC Name9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane
SMILESC.C.C.C.CC(c1ccc(CN=[N+]=[N-])cc1)C(C)c1ccc(Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C30H28N4.4CH4/c1-21(25-15-11-23(12-16-25)19-32-33-31)22(2)26-17-13-24(14-18-26)20-34-29-9-5-3-7-27(29)28-8-4-6-10-30(28)34;;;;/h3-18,21-22H,19-20H2,1-2H3;4*1H4
InChIKeyJVBRMKSQFQBFCS-UHFFFAOYSA-N
XLogP11.10
TPSA53.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Frequently Asked Questions

What is the IUPAC name of 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane?
The IUPAC name of 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane (CID 159032730) is 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane.
What is the SMILES notation for 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane?
The canonical SMILES for 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane is C.C.C.C.CC(c1ccc(CN=[N+]=[N-])cc1)C(C)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane?
The InChIKey is JVBRMKSQFQBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4.4CH4/c1-21(25-15-11-23(12-16-25)19-32-33-31)22(2)26-17-13-24(14-18-26)20-34-29-9-5-3-7-27(29)28-8-4-6-10-30(28)34;;;;/h3-18,21-22H,19-20H2,1-2H3;4*1H4.
What are the key properties of 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane?
9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane has a molecular weight of 508.75 g/mol, XLogP of 11.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[3-[4-(azidomethyl)phenyl]butan-2-yl]phenyl]methyl]carbazole;methane is sourced from PubChem (CID 159032730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).