10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide

C42H44Br2N4O2 — CID 21122955

IUPAC10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide
SMILESCOc1ccc2[nH]c3ccc4cc[n+](CCCCCCCCCC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6c5)cc4c3c2c1.[Br-].[Br-]
InChIInChI=1S/C42H42N4O2.2BrH/c1-47-31-13-17-37-33(25-31)41-35-27-45(23-19-29(35)11-15-39(41)43-37)21-9-7-5-3-4-6-8-10-22-46-24-20-30-12-16-40-42(36(30)28-46)34-26-32(48-2)14-18-38(34)44-40;;/h11-20,23-28H,3-10,21-22H2,1-2H3;2*1H
InChIKeyNRCHTIAJDDHBCD-UHFFFAOYSA-N
MW796.65 g/mol
LogP3.68
Rot. Bonds13

About 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide

10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide (PubChem CID 21122955) has the molecular formula C42H44Br2N4O2 and a molecular weight of 796.65 g/mol. Its IUPAC name is 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide.

Molecular Properties

Compound Name10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide
PubChem CID21122955
Molecular FormulaC42H44Br2N4O2
Molecular Weight796.65 g/mol
Exact Mass794.18
IUPAC Name10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide
SMILESCOc1ccc2[nH]c3ccc4cc[n+](CCCCCCCCCC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6c5)cc4c3c2c1.[Br-].[Br-]
InChIInChI=1S/C42H42N4O2.2BrH/c1-47-31-13-17-37-33(25-31)41-35-27-45(23-19-29(35)11-15-39(41)43-37)21-9-7-5-3-4-6-8-10-22-46-24-20-30-12-16-40-42(36(30)28-46)34-26-32(48-2)14-18-38(34)44-40;;/h11-20,23-28H,3-10,21-22H2,1-2H3;2*1H
InChIKeyNRCHTIAJDDHBCD-UHFFFAOYSA-N
XLogP3.68
TPSA57.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500796.65
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide?
The IUPAC name of 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide (CID 21122955) is 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide.
What is the SMILES notation for 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide?
The canonical SMILES for 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide is COc1ccc2[nH]c3ccc4cc[n+](CCCCCCCCCC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6c5)cc4c3c2c1.[Br-].[Br-].
What is the InChIKey of 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide?
The InChIKey is NRCHTIAJDDHBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N4O2.2BrH/c1-47-31-13-17-37-33(25-31)41-35-27-45(23-19-29(35)11-15-39(41)43-37)21-9-7-5-3-4-6-8-10-22-46-24-20-30-12-16-40-42(36(30)28-46)34-26-32(48-2)14-18-38(34)44-40;;/h11-20,23-28H,3-10,21-22H2,1-2H3;2*1H.
What are the key properties of 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide?
10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide has a molecular weight of 796.65 g/mol, XLogP of 3.68, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2-[10-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)decyl]-7H-pyrido[4,3-c]carbazol-2-ium dibromide is sourced from PubChem (CID 21122955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).