5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C26H26N6 — CID 169374839

IUPAC5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C(N)=N1
InChIInChI=1S/C26H26N6/c27-24-29-25(28)32(26(30-24)16-6-1-7-17-26)19-14-12-18(13-15-19)31-22-10-4-2-8-20(22)21-9-3-5-11-23(21)31/h2-5,8-15H,1,6-7,16-17H2,(H4,27,28,29,30)
InChIKeySSDQYGMIRUPHHL-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.89
Rot. Bonds2

About 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169374839) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169374839
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC Name5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C(N)=N1
InChIInChI=1S/C26H26N6/c27-24-29-25(28)32(26(30-24)16-6-1-7-17-26)19-14-12-18(13-15-19)31-22-10-4-2-8-20(22)21-9-3-5-11-23(21)31/h2-5,8-15H,1,6-7,16-17H2,(H4,27,28,29,30)
InChIKeySSDQYGMIRUPHHL-UHFFFAOYSA-N
XLogP4.89
TPSA84.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378039
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-methylphenol
CID 169378253
5-(4-propoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169377453
5-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376242
10-(4-ethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride
CID 126460073
5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373654
5-[4-(thiadiazol-4-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374767
5-[4-(2-propan-2-ylimidazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375513
4-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenoxy]benzoic acid
CID 169377884
4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 169375961
1-[3-acetyl-5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]ethanone
CID 169376461
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione
CID 169377026

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169374839) is 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C(N)=N1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is SSDQYGMIRUPHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c27-24-29-25(28)32(26(30-24)16-6-1-7-17-26)19-14-12-18(13-15-19)31-22-10-4-2-8-20(22)21-9-3-5-11-23(21)31/h2-5,8-15H,1,6-7,16-17H2,(H4,27,28,29,30).
What are the key properties of 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 422.54 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169374839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).