1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine

C30H21N3 — CID 141114308

IUPAC1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine
SMILESc1ccc(-c2nnc(-c3ccccc3)c3c(-c4ccccc4)n(-c4ccccc4)cc23)cc1
InChIInChI=1S/C30H21N3/c1-5-13-22(14-6-1)28-26-21-33(25-19-11-4-12-20-25)30(24-17-9-3-10-18-24)27(26)29(32-31-28)23-15-7-2-8-16-23/h1-21H
InChIKeyCCULALKGLSQEIO-UHFFFAOYSA-N
MW423.52 g/mol
LogP7.42
Rot. Bonds4

About 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine

1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine (PubChem CID 141114308) has the molecular formula C30H21N3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine
PubChem CID141114308
Molecular FormulaC30H21N3
Molecular Weight423.52 g/mol
Exact Mass423.17
IUPAC Name1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine
SMILESc1ccc(-c2nnc(-c3ccccc3)c3c(-c4ccccc4)n(-c4ccccc4)cc23)cc1
InChIInChI=1S/C30H21N3/c1-5-13-22(14-6-1)28-26-21-33(25-19-11-4-12-20-25)30(24-17-9-3-10-18-24)27(26)29(32-31-28)23-15-7-2-8-16-23/h1-21H
InChIKeyCCULALKGLSQEIO-UHFFFAOYSA-N
XLogP7.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diphenylpyridazino[4,5-a]indolizine
CID 141114313
1,2-diphenylpyrrole-3,4-diamine
CID 67204973
4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline
CID 139637944
1,2-diphenyl-4-(trifluoromethyl)pyrrole-3-carbonitrile
CID 140991511
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile
CID 71739777
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole
CID 12584877
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole
CID 156553212
1-phenylpyridazino[4,5-d]pyridazine-4,5-diamine
CID 53375996
3-phenylcinnoline-4-carbonitrile
CID 10868127

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine (CID 141114308) is 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine is c1ccc(-c2nnc(-c3ccccc3)c3c(-c4ccccc4)n(-c4ccccc4)cc23)cc1.
What is the InChIKey of 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine?
The InChIKey is CCULALKGLSQEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3/c1-5-13-22(14-6-1)28-26-21-33(25-19-11-4-12-20-25)30(24-17-9-3-10-18-24)27(26)29(32-31-28)23-15-7-2-8-16-23/h1-21H.
What are the key properties of 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine?
1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine has a molecular weight of 423.52 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 141114308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).