2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol

C39H36N4O2 — CID 161412266

IUPAC2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol
SMILESCCCCn1c2cc(C)ccc2c2cc(O)c(/C=N/c3ccccc3/N=C/c3cc4c(cc3O)c3ccc(C)cc3n4C)cc21
InChIInChI=1S/C39H36N4O2/c1-5-6-15-43-36-17-25(3)12-14-29(36)31-21-39(45)27(19-37(31)43)23-41-33-10-8-7-9-32(33)40-22-26-18-35-30(20-38(26)44)28-13-11-24(2)16-34(28)42(35)4/h7-14,16-23,44-45H,5-6,15H2,1-4H3/b40-22+,41-23+
InChIKeyBVLPTTLZTYOYRM-SKPVJXRPSA-N
MW592.74 g/mol
LogP9.77
Rot. Bonds7

About 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol

2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol (PubChem CID 161412266) has the molecular formula C39H36N4O2 and a molecular weight of 592.74 g/mol. Its IUPAC name is 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol.

Molecular Properties

Compound Name2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol
PubChem CID161412266
Molecular FormulaC39H36N4O2
Molecular Weight592.74 g/mol
Exact Mass592.28
IUPAC Name2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol
SMILESCCCCn1c2cc(C)ccc2c2cc(O)c(/C=N/c3ccccc3/N=C/c3cc4c(cc3O)c3ccc(C)cc3n4C)cc21
InChIInChI=1S/C39H36N4O2/c1-5-6-15-43-36-17-25(3)12-14-29(36)31-21-39(45)27(19-37(31)43)23-41-33-10-8-7-9-32(33)40-22-26-18-35-30(20-38(26)44)28-13-11-24(2)16-34(28)42(35)4/h7-14,16-23,44-45H,5-6,15H2,1-4H3/b40-22+,41-23+
InChIKeyBVLPTTLZTYOYRM-SKPVJXRPSA-N
XLogP9.77
TPSA75.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 59.77
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

9-butyl-2-[[2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]-4-methylphenyl]iminomethyl]carbazol-3-ol
CID 140908952
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
2-[[5-tert-butyl-2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-methylcarbazol-3-ol
CID 161412267
9-butyl-2,7-dimethylcarbazole
CID 129212268
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
(1-butyl-2-chloro-6-methylindol-3-yl)methanol
CID 82269650
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
9-butylcarbazol-3-ol
CID 140908966
2-[[2-[(3-hydroxy-9H-carbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9H-carbazol-3-ol
CID 140908950
5,11-didodecyl-3-[(E)-2-(5-dodecyl-11-methylindolo[3,2-b]carbazol-3-yl)ethenyl]indolo[3,2-b]carbazole
CID 90046031
4-bromo-2-[(E)-(1-butylbenzimidazol-2-yl)iminomethyl]phenol
CID 135641159
4-methyl-2-(naphthalen-1-ylmethylideneamino)phenol
CID 832580

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol?
The IUPAC name of 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol (CID 161412266) is 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol.
What is the SMILES notation for 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol?
The canonical SMILES for 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol is CCCCn1c2cc(C)ccc2c2cc(O)c(/C=N/c3ccccc3/N=C/c3cc4c(cc3O)c3ccc(C)cc3n4C)cc21.
What is the InChIKey of 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol?
The InChIKey is BVLPTTLZTYOYRM-SKPVJXRPSA-N. The full InChI is InChI=1S/C39H36N4O2/c1-5-6-15-43-36-17-25(3)12-14-29(36)31-21-39(45)27(19-37(31)43)23-41-33-10-8-7-9-32(33)40-22-26-18-35-30(20-38(26)44)28-13-11-24(2)16-34(28)42(35)4/h7-14,16-23,44-45H,5-6,15H2,1-4H3/b40-22+,41-23+.
What are the key properties of 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol?
2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol has a molecular weight of 592.74 g/mol, XLogP of 9.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol is sourced from PubChem (CID 161412266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).