9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol

C41H40N4O2 — CID 140908952

IUPAC9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol
SMILESCCCCn1c2ccccc2c2cc(O)c(/C=N/c3ccc(C)cc3/N=C/c3cc4c(cc3O)c3ccccc3n4CCCC)cc21
InChIInChI=1S/C41H40N4O2/c1-4-6-18-44-36-14-10-8-12-30(36)32-23-40(46)28(21-38(32)44)25-42-34-17-16-27(3)20-35(34)43-26-29-22-39-33(24-41(29)47)31-13-9-11-15-37(31)45(39)19-7-5-2/h8-17,20-26,46-47H,4-7,18-19H2,1-3H3/b42-25+,43-26+
InChIKeyNQBCSOYYZVTFQX-DCRHPOARSA-N
MW620.80 g/mol
LogP10.72
Rot. Bonds10

About 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol

9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol (PubChem CID 140908952) has the molecular formula C41H40N4O2 and a molecular weight of 620.80 g/mol. Its IUPAC name is 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol.

Molecular Properties

Compound Name9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol
PubChem CID140908952
Molecular FormulaC41H40N4O2
Molecular Weight620.80 g/mol
Exact Mass620.32
IUPAC Name9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol
SMILESCCCCn1c2ccccc2c2cc(O)c(/C=N/c3ccc(C)cc3/N=C/c3cc4c(cc3O)c3ccccc3n4CCCC)cc21
InChIInChI=1S/C41H40N4O2/c1-4-6-18-44-36-14-10-8-12-30(36)32-23-40(46)28(21-38(32)44)25-42-34-17-16-27(3)20-35(34)43-26-29-22-39-33(24-41(29)47)31-13-9-11-15-37(31)45(39)19-7-5-2/h8-17,20-26,46-47H,4-7,18-19H2,1-3H3/b42-25+,43-26+
InChIKeyNQBCSOYYZVTFQX-DCRHPOARSA-N
XLogP10.72
TPSA75.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 510.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol
CID 161412266
2-[[5-tert-butyl-2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-methylcarbazol-3-ol
CID 161412267
2-[[2-[(7-amino-9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;2-[[5-amino-2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-methylcarbazol-3-ol;2-[[5-bromo-2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;9-butyl-2-[[2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7-methylcarbazol-3-ol;platinum
CID 159426200
9-butyl-2,7-dimethylcarbazole
CID 129212268
9-butylcarbazol-3-ol
CID 140908966
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588
2-methylnaphthalene;3-methyl-9-octylcarbazole
CID 167681483
N-(9-butyl-3-formylcarbazol-2-yl)acetamide
CID 102433142
benzene;9-octylcarbazole
CID 175067369
9-ethyl-2-methylcarbazole
CID 19788789

Frequently Asked Questions

What is the IUPAC name of 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol?
The IUPAC name of 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol (CID 140908952) is 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol.
What is the SMILES notation for 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol?
The canonical SMILES for 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol is CCCCn1c2ccccc2c2cc(O)c(/C=N/c3ccc(C)cc3/N=C/c3cc4c(cc3O)c3ccccc3n4CCCC)cc21.
What is the InChIKey of 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol?
The InChIKey is NQBCSOYYZVTFQX-DCRHPOARSA-N. The full InChI is InChI=1S/C41H40N4O2/c1-4-6-18-44-36-14-10-8-12-30(36)32-23-40(46)28(21-38(32)44)25-42-34-17-16-27(3)20-35(34)43-26-29-22-39-33(24-41(29)47)31-13-9-11-15-37(31)45(39)19-7-5-2/h8-17,20-26,46-47H,4-7,18-19H2,1-3H3/b42-25+,43-26+.
What are the key properties of 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol?
9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol has a molecular weight of 620.80 g/mol, XLogP of 10.72, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol is sourced from PubChem (CID 140908952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).