N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide

C64H66N10O2+2 — CID 126543338

IUPACN-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
SMILESCc1cc2nc3ccc(N)cc3[n+](-c3ccccc3)c2cc1NCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCNc3cc4c(cc3C)nc3ccc(N)cc3[n+]4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H64N10O2/c1-43-37-57-61(73(51-17-9-7-10-18-51)59-39-49(65)29-31-53(59)71-57)41-55(43)67-33-13-3-5-15-35-69-63(75)47-25-21-45(22-26-47)46-23-27-48(28-24-46)64(76)70-36-16-6-4-14-34-68-56-42-62-58(38-44(56)2)72-54-32-30-50(66)40-60(54)74(62)52-19-11-8-12-20-52/h7-12,17-32,37-42H,3-6,13-16,33-36H2,1-2H3,(H6,65,66,67,68,69,70,75,76)/p+2
InChIKeySKBKPPAZSDEBJF-UHFFFAOYSA-P
MW1007.30 g/mol
LogP11.90
Rot. Bonds21

About N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide

N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide (PubChem CID 126543338) has the molecular formula C64H66N10O2+2 and a molecular weight of 1007.30 g/mol. Its IUPAC name is N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
PubChem CID126543338
Molecular FormulaC64H66N10O2+2
Molecular Weight1007.30 g/mol
Exact Mass1006.54
IUPAC NameN-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
SMILESCc1cc2nc3ccc(N)cc3[n+](-c3ccccc3)c2cc1NCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCNc3cc4c(cc3C)nc3ccc(N)cc3[n+]4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H64N10O2/c1-43-37-57-61(73(51-17-9-7-10-18-51)59-39-49(65)29-31-53(59)71-57)41-55(43)67-33-13-3-5-15-35-69-63(75)47-25-21-45(22-26-47)46-23-27-48(28-24-46)64(76)70-36-16-6-4-14-34-68-56-42-62-58(38-44(56)2)72-54-32-30-50(66)40-60(54)74(62)52-19-11-8-12-20-52/h7-12,17-32,37-42H,3-6,13-16,33-36H2,1-2H3,(H6,65,66,67,68,69,70,75,76)/p+2
InChIKeySKBKPPAZSDEBJF-UHFFFAOYSA-P
XLogP11.90
TPSA167.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.30
LogP ≤ 511.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide with MolForge

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Related Compounds

N-[6-[(7,8-diamino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(7,8-diamino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 145240967
N-[6-[(8-amino-7-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-7-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 145240948
N-[6-[[4-(4-amino-2-anilinophenyl)imino-6-methylcyclohexa-1,5-dien-1-yl]amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 145240952
[5-amino-2-[[4-[6-[[4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]phenyl]-phenylazanium
CID 145240951
4-[4-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]phenyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]benzamide dichloride
CID 160961939
N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 145241032
4-[4-[6-[[10-(2,4-diaminophenyl)-3,7-dimethyl-8-(methylamino)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]-N-[6-[(6-methylcyclohexa-1,5-dien-1-yl)amino]hexyl]benzamide
CID 145241008
6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide
CID 160776568
N-[6-[[4-(4-amino-2-anilinophenyl)imino-3-methylidenecyclohexa-1,5-dien-1-yl]amino]hexyl]-4-[4-[6-[(8-amino-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 126543335
[5-amino-2-[[4-[6-[[4-[4-[6-[(8-amino-7-bromo-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-bromophenyl]-phenylazanium
CID 145240798
2-N-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octyl]-1,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine
CID 118279031
[5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium
CID 145240759

Frequently Asked Questions

What is the IUPAC name of N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide?
The IUPAC name of N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide (CID 126543338) is N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide?
The canonical SMILES for N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide is Cc1cc2nc3ccc(N)cc3[n+](-c3ccccc3)c2cc1NCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCNc3cc4c(cc3C)nc3ccc(N)cc3[n+]4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide?
The InChIKey is SKBKPPAZSDEBJF-UHFFFAOYSA-P. The full InChI is InChI=1S/C64H64N10O2/c1-43-37-57-61(73(51-17-9-7-10-18-51)59-39-49(65)29-31-53(59)71-57)41-55(43)67-33-13-3-5-15-35-69-63(75)47-25-21-45(22-26-47)46-23-27-48(28-24-46)64(76)70-36-16-6-4-14-34-68-56-42-62-58(38-44(56)2)72-54-32-30-50(66)40-60(54)74(62)52-19-11-8-12-20-52/h7-12,17-32,37-42H,3-6,13-16,33-36H2,1-2H3,(H6,65,66,67,68,69,70,75,76)/p+2.
What are the key properties of N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide?
N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide has a molecular weight of 1007.30 g/mol, XLogP of 11.90, 21 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 126543338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).