[6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone

C66H62N4O6 — CID 131742093

IUPAC[6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc3c(c2)c2cc(C(=NO)c4ccccc4C)ccc2n3CCOCCOCCn2c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3c3cc(C(=NO)c4ccccc4C)ccc32)c(C)c1
InChIInChI=1S/C66H62N4O6/c1-39-31-43(5)61(44(6)32-39)65(71)49-19-23-59-55(37-49)53-35-47(63(67-73)51-15-11-9-13-41(51)3)17-21-57(53)69(59)25-27-75-29-30-76-28-26-70-58-22-18-48(64(68-74)52-16-12-10-14-42(52)4)36-54(58)56-38-50(20-24-60(56)70)66(72)62-45(7)33-40(2)34-46(62)8/h9-24,31-38,73-74H,25-30H2,1-8H3
InChIKeyNUXJAQQNUMMHET-UHFFFAOYSA-N
MW1007.24 g/mol
LogP14.02
Rot. Bonds17

About [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone

[6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 131742093) has the molecular formula C66H62N4O6 and a molecular weight of 1007.24 g/mol. Its IUPAC name is [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID131742093
Molecular FormulaC66H62N4O6
Molecular Weight1007.24 g/mol
Exact Mass1006.47
IUPAC Name[6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc3c(c2)c2cc(C(=NO)c4ccccc4C)ccc2n3CCOCCOCCn2c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3c3cc(C(=NO)c4ccccc4C)ccc32)c(C)c1
InChIInChI=1S/C66H62N4O6/c1-39-31-43(5)61(44(6)32-39)65(71)49-19-23-59-55(37-49)53-35-47(63(67-73)51-15-11-9-13-41(51)3)17-21-57(53)69(59)25-27-75-29-30-76-28-26-70-58-22-18-48(64(68-74)52-16-12-10-14-42(52)4)36-54(58)56-38-50(20-24-60(56)70)66(72)62-45(7)33-40(2)34-46(62)8/h9-24,31-38,73-74H,25-30H2,1-8H3
InChIKeyNUXJAQQNUMMHET-UHFFFAOYSA-N
XLogP14.02
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.24
LogP ≤ 514.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone with MolForge

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Related Compounds

[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane
CID 160533610
[11-(2-ethylhexyl)-8-[(E)-N-hydroxy-C-[2-(2-methoxyethoxy)phenyl]carbonimidoyl]benzo[a]carbazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 87281144
[9-(2-ethoxyethyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]carbazol-3-yl]-[2-(trifluoromethyl)phenyl]methanone;1-[9-(2-ethoxyethyl)-6-[2-(trifluoromethyl)benzoyl]carbazol-3-yl]ethanone
CID 172939533
4-(4-chlorophenyl)sulfanyl-1-[9-(2-ethoxyethyl)-6-(2-methylbenzoyl)carbazol-3-yl]butan-1-one;[6-[(E)-C-[3-(4-chlorophenyl)sulfanylpropyl]-N-hydroxycarbonimidoyl]-9-(2-ethoxyethyl)carbazol-3-yl]-(2-methylphenyl)methanone;hydroxylamine;hydrochloride
CID 172972513
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[9-(2-ethoxyethyl)-6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]carbazol-3-yl]-thiophen-2-ylmethanone
CID 118109530
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate
CID 123904230
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 76562821
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132

Frequently Asked Questions

What is the IUPAC name of [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone (CID 131742093) is [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc3c(c2)c2cc(C(=NO)c4ccccc4C)ccc2n3CCOCCOCCn2c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3c3cc(C(=NO)c4ccccc4C)ccc32)c(C)c1.
What is the InChIKey of [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is NUXJAQQNUMMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H62N4O6/c1-39-31-43(5)61(44(6)32-39)65(71)49-19-23-59-55(37-49)53-35-47(63(67-73)51-15-11-9-13-41(51)3)17-21-57(53)69(59)25-27-75-29-30-76-28-26-70-58-22-18-48(64(68-74)52-16-12-10-14-42(52)4)36-54(58)56-38-50(20-24-60(56)70)66(72)62-45(7)33-40(2)34-46(62)8/h9-24,31-38,73-74H,25-30H2,1-8H3.
What are the key properties of [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone?
[6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 1007.24 g/mol, XLogP of 14.02, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-9-[2-[2-[2-[3-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]-6-(2,4,6-trimethylbenzoyl)carbazol-9-yl]ethoxy]ethoxy]ethyl]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 131742093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).