4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

C48H31ClN6O6 — CID 135731631

IUPAC4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2c(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4c(O)c(C(=O)Nc5ccccc5Cl)cc5ccccc45)ccc2-3)c1O
InChIInChI=1S/C48H31ClN6O6/c1-61-41-17-9-8-16-40(41)51-48(60)37-23-27-11-3-5-13-31(27)43(46(37)58)55-53-29-19-21-33-32-20-18-28(24-34(32)44(56)35(33)25-29)52-54-42-30-12-4-2-10-26(30)22-36(45(42)57)47(59)50-39-15-7-6-14-38(39)49/h2-25,57-58H,1H3,(H,50,59)(H,51,60)/b54-52+,55-53+
InChIKeyIENFJMOQFXPDFA-UTTFBYFCSA-N
MW823.27 g/mol
LogP12.61
Rot. Bonds9

About 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 135731631) has the molecular formula C48H31ClN6O6 and a molecular weight of 823.27 g/mol. Its IUPAC name is 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID135731631
Molecular FormulaC48H31ClN6O6
Molecular Weight823.27 g/mol
Exact Mass822.20
IUPAC Name4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2c(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4c(O)c(C(=O)Nc5ccccc5Cl)cc5ccccc45)ccc2-3)c1O
InChIInChI=1S/C48H31ClN6O6/c1-61-41-17-9-8-16-40(41)51-48(60)37-23-27-11-3-5-13-31(27)43(46(37)58)55-53-29-19-21-33-32-20-18-28(24-34(32)44(56)35(33)25-29)52-54-42-30-12-4-2-10-26(30)22-36(45(42)57)47(59)50-39-15-7-6-14-38(39)49/h2-25,57-58H,1H3,(H,50,59)(H,51,60)/b54-52+,55-53+
InChIKeyIENFJMOQFXPDFA-UTTFBYFCSA-N
XLogP12.61
TPSA174.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.27
LogP ≤ 512.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 135584933
N-(2-chlorophenyl)-3-hydroxy-4-(methyldiazenyl)naphthalene-2-carboxamide
CID 135731643
5-chloro-3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136707852
N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136629268
3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
CID 135731626
3-chloro-5-[[3-[(2-chloro-3-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-ethylbenzenesulfonic acid
CID 136856006
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
2-chloro-4-[[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-methylbenzenesulfonic acid
CID 136855128
5-chloro-2-ethyl-3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 136708031
3-chloro-2-ethyl-4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 136708009
3-chloro-2-[[3-[(2-chloro-3-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-methylbenzenesulfonic acid
CID 136854929
4-[[7-[[3-[(2-chloroanilino)oxymethyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalene-2-carboxamide
CID 20676679

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide (CID 135731631) is 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc2ccccc2c(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4c(O)c(C(=O)Nc5ccccc5Cl)cc5ccccc45)ccc2-3)c1O.
What is the InChIKey of 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is IENFJMOQFXPDFA-UTTFBYFCSA-N. The full InChI is InChI=1S/C48H31ClN6O6/c1-61-41-17-9-8-16-40(41)51-48(60)37-23-27-11-3-5-13-31(27)43(46(37)58)55-53-29-19-21-33-32-20-18-28(24-34(32)44(56)35(33)25-29)52-54-42-30-12-4-2-10-26(30)22-36(45(42)57)47(59)50-39-15-7-6-14-38(39)49/h2-25,57-58H,1H3,(H,50,59)(H,51,60)/b54-52+,55-53+.
What are the key properties of 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 823.27 g/mol, XLogP of 12.61, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 135731631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).