6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole

C42H60N2O2 — CID 101492631

IUPAC6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole
SMILESCCCCCCOc1c2c3ccccc3n(CCCCCC)c2c(OCCCCCC)c2c3ccccc3n(CCCCCC)c12
InChIInChI=1S/C42H60N2O2/c1-5-9-13-21-29-43-35-27-19-17-25-33(35)37-39(43)41(45-31-23-15-11-7-3)38-34-26-18-20-28-36(34)44(30-22-14-10-6-2)40(38)42(37)46-32-24-16-12-8-4/h17-20,25-28H,5-16,21-24,29-32H2,1-4H3
InChIKeyDSJOFYAPFMHABR-UHFFFAOYSA-N
MW624.95 g/mol
LogP12.98
Rot. Bonds22

About 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole

6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole (PubChem CID 101492631) has the molecular formula C42H60N2O2 and a molecular weight of 624.95 g/mol. Its IUPAC name is 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole
PubChem CID101492631
Molecular FormulaC42H60N2O2
Molecular Weight624.95 g/mol
Exact Mass624.47
IUPAC Name6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole
SMILESCCCCCCOc1c2c3ccccc3n(CCCCCC)c2c(OCCCCCC)c2c3ccccc3n(CCCCCC)c12
InChIInChI=1S/C42H60N2O2/c1-5-9-13-21-29-43-35-27-19-17-25-33(35)37-39(43)41(45-31-23-15-11-7-3)38-34-26-18-20-28-36(34)44(30-22-14-10-6-2)40(38)42(37)46-32-24-16-12-8-4/h17-20,25-28H,5-16,21-24,29-32H2,1-4H3
InChIKeyDSJOFYAPFMHABR-UHFFFAOYSA-N
XLogP12.98
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.95
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Carbazole Violet
CID 61387
C.I. Pigment Violet 23
CID 11845128
2-[[(2R)-2-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yl]oxy]ethanamine
CID 12148615
3-carbazol-9-yl-N-[2-[4-[2-[3-carbazol-9-ylpropyl(methyl)amino]ethyl]-2,5-dimethoxyphenyl]ethyl]-N-methylpropan-1-amine
CID 145956232
Chrestfoline C
CID 375157
Indolequinone, compd 2
CID 91899462
Indolequinone, compd 4
CID 91899464
Indolequinone, compd 5
CID 91899465
1-[[3-Methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indole
CID 9806346
4-[4-[1-[[3-Methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-2-yl]phenoxy]butan-1-ol
CID 15485949
2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine
CID 24802974
9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
CID 132919020

Frequently Asked Questions

What is the IUPAC name of 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole?
The IUPAC name of 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole (CID 101492631) is 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole?
The canonical SMILES for 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole is CCCCCCOc1c2c3ccccc3n(CCCCCC)c2c(OCCCCCC)c2c3ccccc3n(CCCCCC)c12.
What is the InChIKey of 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole?
The InChIKey is DSJOFYAPFMHABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H60N2O2/c1-5-9-13-21-29-43-35-27-19-17-25-33(35)37-39(43)41(45-31-23-15-11-7-3)38-34-26-18-20-28-36(34)44(30-22-14-10-6-2)40(38)42(37)46-32-24-16-12-8-4/h17-20,25-28H,5-16,21-24,29-32H2,1-4H3.
What are the key properties of 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole?
6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole has a molecular weight of 624.95 g/mol, XLogP of 12.98, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dihexoxy-5,11-dihexylindolo[3,2-b]carbazole is sourced from PubChem (CID 101492631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).