2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole

C33H22N5+ — CID 164707172

IUPAC2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-[n+]6ccccn6)cc54)cc32)nc1
InChIInChI=1S/C33H22N5/c1-3-11-29-25(9-1)27-16-14-23(36-20-8-7-19-35-36)21-31(27)37(29)24-15-17-28-26-10-2-4-12-30(26)38(32(28)22-24)33-13-5-6-18-34-33/h1-22H/q+1
InChIKeyJCZQYZPGZYJWDS-UHFFFAOYSA-N
MW488.57 g/mol
LogP6.95
Rot. Bonds3

About 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole

2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole (PubChem CID 164707172) has the molecular formula C33H22N5+ and a molecular weight of 488.57 g/mol. Its IUPAC name is 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
PubChem CID164707172
Molecular FormulaC33H22N5+
Molecular Weight488.57 g/mol
Exact Mass488.19
IUPAC Name2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-[n+]6ccccn6)cc54)cc32)nc1
InChIInChI=1S/C33H22N5/c1-3-11-29-25(9-1)27-16-14-23(36-20-8-7-19-35-36)21-31(27)37(29)24-15-17-28-26-10-2-4-12-30(26)38(32(28)22-24)33-13-5-6-18-34-33/h1-22H/q+1
InChIKeyJCZQYZPGZYJWDS-UHFFFAOYSA-N
XLogP6.95
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 140729981
2-imidazo[1,5-a]pyridin-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 140730176
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781
platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
CID 71478704
platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide
CID 164707171
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 90089781
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol
CID 140679502
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086

Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole?
The IUPAC name of 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole (CID 164707172) is 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole.
What is the SMILES notation for 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole?
The canonical SMILES for 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-[n+]6ccccn6)cc54)cc32)nc1.
What is the InChIKey of 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole?
The InChIKey is JCZQYZPGZYJWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N5/c1-3-11-29-25(9-1)27-16-14-23(36-20-8-7-19-35-36)21-31(27)37(29)24-15-17-28-26-10-2-4-12-30(26)38(32(28)22-24)33-13-5-6-18-34-33/h1-22H/q+1.
What are the key properties of 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole?
2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole has a molecular weight of 488.57 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole is sourced from PubChem (CID 164707172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).