[4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene

C31H30N4O3 — CID 71365460

IUPAC[4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene
SMILESCc1cc([N+](=O)[O-])ccc1/N=N/c1ccc(OCCCCCCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C31H30N4O3/c1-23-22-25(35(36)37)16-19-29(23)33-32-24-14-17-26(18-15-24)38-21-9-3-2-8-20-34-30-12-6-4-10-27(30)28-11-5-7-13-31(28)34/h4-7,10-19,22H,2-3,8-9,20-21H2,1H3/b33-32+
InChIKeyPBUBUXHMEVYAKH-ULIFNZDWSA-N
MW506.61 g/mol
LogP9.07
Rot. Bonds11

About [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene

[4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene (PubChem CID 71365460) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene.

Molecular Properties

Compound Name[4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene
PubChem CID71365460
Molecular FormulaC31H30N4O3
Molecular Weight506.61 g/mol
Exact Mass506.23
IUPAC Name[4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene
SMILESCc1cc([N+](=O)[O-])ccc1/N=N/c1ccc(OCCCCCCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C31H30N4O3/c1-23-22-25(35(36)37)16-19-29(23)33-32-24-14-17-26(18-15-24)38-21-9-3-2-8-20-34-30-12-6-4-10-27(30)28-11-5-7-13-31(28)34/h4-7,10-19,22H,2-3,8-9,20-21H2,1H3/b33-32+
InChIKeyPBUBUXHMEVYAKH-ULIFNZDWSA-N
XLogP9.07
TPSA82.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene?
The IUPAC name of [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene (CID 71365460) is [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene.
What is the SMILES notation for [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene?
The canonical SMILES for [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene is Cc1cc([N+](=O)[O-])ccc1/N=N/c1ccc(OCCCCCCn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene?
The InChIKey is PBUBUXHMEVYAKH-ULIFNZDWSA-N. The full InChI is InChI=1S/C31H30N4O3/c1-23-22-25(35(36)37)16-19-29(23)33-32-24-14-17-26(18-15-24)38-21-9-3-2-8-20-34-30-12-6-4-10-27(30)28-11-5-7-13-31(28)34/h4-7,10-19,22H,2-3,8-9,20-21H2,1H3/b33-32+.
What are the key properties of [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene?
[4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene has a molecular weight of 506.61 g/mol, XLogP of 9.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene is sourced from PubChem (CID 71365460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).