1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine

C44H44Br2N4 — CID 101382330

IUPAC1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine
SMILESCCCCCCn1c2ccc(Br)cc2c2cc(/C=N/c3ccc(/N=C/c4ccc5c(c4)c4cc(Br)ccc4n5CCCCCC)cc3)ccc21
InChIInChI=1S/C44H44Br2N4/c1-3-5-7-9-23-49-41-19-11-31(25-37(41)39-27-33(45)13-21-43(39)49)29-47-35-15-17-36(18-16-35)48-30-32-12-20-42-38(26-32)40-28-34(46)14-22-44(40)50(42)24-10-8-6-4-2/h11-22,25-30H,3-10,23-24H2,1-2H3/b47-29+,48-30+
InChIKeyAEFQETODKKLBHD-GWSDYOLYSA-N
MW788.67 g/mol
LogP14.09
Rot. Bonds14

About 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine

1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine (PubChem CID 101382330) has the molecular formula C44H44Br2N4 and a molecular weight of 788.67 g/mol. Its IUPAC name is 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine.

Molecular Properties

Compound Name1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine
PubChem CID101382330
Molecular FormulaC44H44Br2N4
Molecular Weight788.67 g/mol
Exact Mass786.19
IUPAC Name1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine
SMILESCCCCCCn1c2ccc(Br)cc2c2cc(/C=N/c3ccc(/N=C/c4ccc5c(c4)c4cc(Br)ccc4n5CCCCCC)cc3)ccc21
InChIInChI=1S/C44H44Br2N4/c1-3-5-7-9-23-49-41-19-11-31(25-37(41)39-27-33(45)13-21-43(39)49)29-47-35-15-17-36(18-16-35)48-30-32-12-20-42-38(26-32)40-28-34(46)14-22-44(40)50(42)24-10-8-6-4-2/h11-22,25-30H,3-10,23-24H2,1-2H3/b47-29+,48-30+
InChIKeyAEFQETODKKLBHD-GWSDYOLYSA-N
XLogP14.09
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.67
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
2,7-dibromo-10-butylacridin-9-one
CID 86036844
9-hexyl-3,6-bis[(E)-2-pyridin-4-ylethenyl]carbazole
CID 101105073
6-bromo-1-pentylquinazoline-2,4-dione
CID 141462501
N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine
CID 21057530
(E)-1-(6-acetyl-9-octylcarbazol-3-yl)-3-(4-bromophenyl)prop-2-en-1-one
CID 162660394
2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole
CID 56851506
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759
N,N'-bis[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 20734223
5-[[9-hexyl-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]carbazol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 122400981

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine?
The IUPAC name of 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine (CID 101382330) is 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine.
What is the SMILES notation for 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine?
The canonical SMILES for 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine is CCCCCCn1c2ccc(Br)cc2c2cc(/C=N/c3ccc(/N=C/c4ccc5c(c4)c4cc(Br)ccc4n5CCCCCC)cc3)ccc21.
What is the InChIKey of 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine?
The InChIKey is AEFQETODKKLBHD-GWSDYOLYSA-N. The full InChI is InChI=1S/C44H44Br2N4/c1-3-5-7-9-23-49-41-19-11-31(25-37(41)39-27-33(45)13-21-43(39)49)29-47-35-15-17-36(18-16-35)48-30-32-12-20-42-38(26-32)40-28-34(46)14-22-44(40)50(42)24-10-8-6-4-2/h11-22,25-30H,3-10,23-24H2,1-2H3/b47-29+,48-30+.
What are the key properties of 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine?
1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine has a molecular weight of 788.67 g/mol, XLogP of 14.09, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine is sourced from PubChem (CID 101382330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).