2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole

C34H23N7 — CID 140690389

IUPAC2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole
SMILESCn1cc[c-][n+]1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)nc43)nc21
InChIInChI=1S/C34H23N7/c1-37-20-8-21-39(37)38-22-19-23-15-17-32(35-33(23)38)41-30-14-7-4-11-26(30)27-16-18-31(36-34(27)41)40-28-12-5-2-9-24(28)25-10-3-6-13-29(25)40/h2-20,22H,1H3
InChIKeyUVIPLTHWEWZBCH-UHFFFAOYSA-N
MW529.61 g/mol
LogP6.36
Rot. Bonds3

About 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole

2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole (PubChem CID 140690389) has the molecular formula C34H23N7 and a molecular weight of 529.61 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole
PubChem CID140690389
Molecular FormulaC34H23N7
Molecular Weight529.61 g/mol
Exact Mass529.20
IUPAC Name2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole
SMILESCn1cc[c-][n+]1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)nc43)nc21
InChIInChI=1S/C34H23N7/c1-37-20-8-21-39(37)38-22-19-23-15-17-32(35-33(23)38)41-30-14-7-4-11-26(30)27-16-18-31(36-34(27)41)40-28-12-5-2-9-24(28)25-10-3-6-13-29(25)40/h2-20,22H,1H3
InChIKeyUVIPLTHWEWZBCH-UHFFFAOYSA-N
XLogP6.36
TPSA49.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.61
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-pyridin-2-yl-2-(2-pyridin-2-ylcarbazol-9-yl)pyrido[2,3-b]indole
CID 155655282
9-(6-carbazol-9-yl-3-methyl-2-pyridinyl)carbazole
CID 170396111
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 129089080
2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole
CID 140775651
9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole
CID 58518415
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
2-(2-isoquinolin-1-ylcarbazol-9-yl)-9-naphthalen-1-ylpyrido[2,3-b]indole
CID 71478849
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-phenyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum;tetrakis(platinum(2+))
CID 161280367
1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)
CID 168743670
5,12-di(quinolin-2-yl)indolo[3,2-c]carbazole
CID 58184804
11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330824

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole?
The IUPAC name of 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole (CID 140690389) is 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole?
The canonical SMILES for 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole is Cn1cc[c-][n+]1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)nc43)nc21.
What is the InChIKey of 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole?
The InChIKey is UVIPLTHWEWZBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N7/c1-37-20-8-21-39(37)38-22-19-23-15-17-32(35-33(23)38)41-30-14-7-4-11-26(30)27-16-18-31(36-34(27)41)40-28-12-5-2-9-24(28)25-10-3-6-13-29(25)40/h2-20,22H,1H3.
What are the key properties of 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole?
2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole has a molecular weight of 529.61 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 140690389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).