5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide

C67H60N10O2+4 — CID 25078047

IUPAC5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide
SMILESCOc1ccc2[nH]c3c(C)c4cc[n+](CCCCC(=O)Nc5ccc(-c6c7ccc([nH]7)c(-c7cc[n+](C)cc7)c7nc(c(-c8cc[n+](C)cc8)c8nc(c(-c9cc[n+](C)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)cc4c(C)c3c2c1
InChIInChI=1S/C67H57N10O2/c1-41-51-40-77(38-30-49(51)42(2)67-62(41)50-39-48(79-6)14-15-52(50)73-67)31-8-7-9-61(78)68-47-12-10-43(11-13-47)63-53-16-18-55(69-53)64(44-24-32-74(3)33-25-44)57-20-22-59(71-57)66(46-28-36-76(5)37-29-46)60-23-21-58(72-60)65(56-19-17-54(63)70-56)45-26-34-75(4)35-27-45/h10-30,32-40H,7-9,31H2,1-6H3,(H-,68,69,70,71,72,78)/q+1/p+3/b63-53-,63-54-,64-55-,64-57-,65-56-,65-58-,66-59-,66-60-
InChIKeyGHWWCRKHDJXCMJ-IZMBGZKHSA-Q
MW1037.29 g/mol
LogP12.31
Rot. Bonds11

About 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide

5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide (PubChem CID 25078047) has the molecular formula C67H60N10O2+4 and a molecular weight of 1037.29 g/mol. Its IUPAC name is 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide.

Molecular Properties

Compound Name5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide
PubChem CID25078047
Molecular FormulaC67H60N10O2+4
Molecular Weight1037.29 g/mol
Exact Mass1036.49
IUPAC Name5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide
SMILESCOc1ccc2[nH]c3c(C)c4cc[n+](CCCCC(=O)Nc5ccc(-c6c7ccc([nH]7)c(-c7cc[n+](C)cc7)c7nc(c(-c8cc[n+](C)cc8)c8nc(c(-c9cc[n+](C)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)cc4c(C)c3c2c1
InChIInChI=1S/C67H57N10O2/c1-41-51-40-77(38-30-49(51)42(2)67-62(41)50-39-48(79-6)14-15-52(50)73-67)31-8-7-9-61(78)68-47-12-10-43(11-13-47)63-53-16-18-55(69-53)64(44-24-32-74(3)33-25-44)57-20-22-59(71-57)66(46-28-36-76(5)37-29-46)60-23-21-58(72-60)65(56-19-17-54(63)70-56)45-26-34-75(4)35-27-45/h10-30,32-40H,7-9,31H2,1-6H3,(H-,68,69,70,71,72,78)/q+1/p+3/b63-53-,63-54-,64-55-,64-57-,65-56-,65-58-,66-59-,66-60-
InChIKeyGHWWCRKHDJXCMJ-IZMBGZKHSA-Q
XLogP12.31
TPSA127.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.29
LogP ≤ 512.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide with MolForge

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Related Compounds

Ditercalinium Chloride
CID 71541
Ditercalinium
CID 3119
methanesulfonate;10-methoxy-2-[3-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]propyl]-7H-pyrido[4,3-c]carbazol-2-ium
CID 14058282
(2S)-6-amino-N-[[2-[2-[4-[1-[2-[6-[[[(2S)-6-amino-2-methylhexanoyl]amino]methyl]-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-6-yl]methyl]-2-methylhexanamide;methanesulfonate;methanesulfonic acid
CID 44379492
1,3-DI[[[10-Methoxy-7H-pyrido[4,3-C]carbazol-2-iumyl]-ethyl]-piperidin-4-YL]-propane
CID 2938
7H-Pyrido(4,3-c)carbazolium, 2,2'-(1,3-propanediylbis(4,1-piperidinediyl-2,1-ethanediyl))bis(10-methoxy-, dichloride
CID 150817
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide
CID 15156562
10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride
CID 15921312
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
9-methoxy-2-[2-[4-[1-[2-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium dichloride
CID 44276451
1-[4-[1-[2-hydroxy-3-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)propyl]piperidin-4-yl]piperidin-1-yl]-3-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)propan-2-ol dichloride
CID 44276525
N,N'-bis[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]-N,N'-dimethylpentane-1,5-diamine dichloride
CID 44276654

Frequently Asked Questions

What is the IUPAC name of 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide?
The IUPAC name of 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide (CID 25078047) is 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide.
What is the SMILES notation for 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide?
The canonical SMILES for 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide is COc1ccc2[nH]c3c(C)c4cc[n+](CCCCC(=O)Nc5ccc(-c6c7ccc([nH]7)c(-c7cc[n+](C)cc7)c7nc(c(-c8cc[n+](C)cc8)c8nc(c(-c9cc[n+](C)cc9)c9ccc6[nH]9)C=C8)C=C7)cc5)cc4c(C)c3c2c1.
What is the InChIKey of 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide?
The InChIKey is GHWWCRKHDJXCMJ-IZMBGZKHSA-Q. The full InChI is InChI=1S/C67H57N10O2/c1-41-51-40-77(38-30-49(51)42(2)67-62(41)50-39-48(79-6)14-15-52(50)73-67)31-8-7-9-61(78)68-47-12-10-43(11-13-47)63-53-16-18-55(69-53)64(44-24-32-74(3)33-25-44)57-20-22-59(71-57)66(46-28-36-76(5)37-29-46)60-23-21-58(72-60)65(56-19-17-54(63)70-56)45-26-34-75(4)35-27-45/h10-30,32-40H,7-9,31H2,1-6H3,(H-,68,69,70,71,72,78)/q+1/p+3/b63-53-,63-54-,64-55-,64-57-,65-56-,65-58-,66-59-,66-60-.
What are the key properties of 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide?
5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide has a molecular weight of 1037.29 g/mol, XLogP of 12.31, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]pentanamide is sourced from PubChem (CID 25078047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).