(9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene

C22H18F3N3 — CID 102003248

IUPAC(9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene
SMILESCCn1c2ccccc2c2cc(C/N=N/c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C22H18F3N3/c1-2-28-20-6-4-3-5-18(20)19-13-15(7-12-21(19)28)14-26-27-17-10-8-16(9-11-17)22(23,24)25/h3-13H,2,14H2,1H3/b27-26+
InChIKeyOSDVRAMIOKPNDR-CYYJNZCTSA-N
MW381.40 g/mol
LogP7.12
Rot. Bonds4

About (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene

(9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene (PubChem CID 102003248) has the molecular formula C22H18F3N3 and a molecular weight of 381.40 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene
PubChem CID102003248
Molecular FormulaC22H18F3N3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC Name(9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene
SMILESCCn1c2ccccc2c2cc(C/N=N/c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C22H18F3N3/c1-2-28-20-6-4-3-5-18(20)19-13-15(7-12-21(19)28)14-26-27-17-10-8-16(9-11-17)22(23,24)25/h3-13H,2,14H2,1H3/b27-26+
InChIKeyOSDVRAMIOKPNDR-CYYJNZCTSA-N
XLogP7.12
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[9-ethyl-6-(phenyldiazenylmethyl)carbazol-3-yl]methyl-phenyldiazene
CID 91536461
N-(9-ethylcarbazol-3-yl)methanimine
CID 163885182
9-ethyl-3-tritylcarbazole
CID 91743871
[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
CID 155432714
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
9-ethyl-3-(trifluoromethoxy)carbazole
CID 150548469
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole
CID 91058956
3-tert-butyl-6,9-diethylcarbazole
CID 143233690
1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine
CID 23989157
9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine
CID 102259553

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene (CID 102003248) is (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene is CCn1c2ccccc2c2cc(C/N=N/c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene?
The InChIKey is OSDVRAMIOKPNDR-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H18F3N3/c1-2-28-20-6-4-3-5-18(20)19-13-15(7-12-21(19)28)14-26-27-17-10-8-16(9-11-17)22(23,24)25/h3-13H,2,14H2,1H3/b27-26+.
What are the key properties of (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene?
(9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene has a molecular weight of 381.40 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)methyl-[4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 102003248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).