N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine

C46H41FN8O2 — CID 156868512

IUPACN'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine
SMILESCN(CCOc1c2[nH]c(-c3ccccc3)nc2c(F)c2c1[nH]c1ccccc12)CCN(C)CCOc1c2nc(-c3ccccc3)[nH]c2cc2[nH]c3ccccc3c12
InChIInChI=1S/C46H41FN8O2/c1-54(23-25-56-43-36-30-17-9-11-19-32(30)48-34(36)27-35-39(43)51-45(50-35)28-13-5-3-6-14-28)21-22-55(2)24-26-57-44-40-37(31-18-10-12-20-33(31)49-40)38(47)41-42(44)53-46(52-41)29-15-7-4-8-16-29/h3-20,27,48-49H,21-26H2,1-2H3,(H,50,51)(H,52,53)
InChIKeyISJDBOMSZLHODW-UHFFFAOYSA-N
MW756.89 g/mol
LogP9.50
Rot. Bonds13

About N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine

N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine (PubChem CID 156868512) has the molecular formula C46H41FN8O2 and a molecular weight of 756.89 g/mol. Its IUPAC name is N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine
PubChem CID156868512
Molecular FormulaC46H41FN8O2
Molecular Weight756.89 g/mol
Exact Mass756.33
IUPAC NameN'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine
SMILESCN(CCOc1c2[nH]c(-c3ccccc3)nc2c(F)c2c1[nH]c1ccccc12)CCN(C)CCOc1c2nc(-c3ccccc3)[nH]c2cc2[nH]c3ccccc3c12
InChIInChI=1S/C46H41FN8O2/c1-54(23-25-56-43-36-30-17-9-11-19-32(30)48-34(36)27-35-39(43)51-45(50-35)28-13-5-3-6-14-28)21-22-55(2)24-26-57-44-40-37(31-18-10-12-20-33(31)49-40)38(47)41-42(44)53-46(52-41)29-15-7-4-8-16-29/h3-20,27,48-49H,21-26H2,1-2H3,(H,50,51)(H,52,53)
InChIKeyISJDBOMSZLHODW-UHFFFAOYSA-N
XLogP9.50
TPSA113.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.89
LogP ≤ 59.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine (CID 156868512) is N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine is CN(CCOc1c2[nH]c(-c3ccccc3)nc2c(F)c2c1[nH]c1ccccc12)CCN(C)CCOc1c2nc(-c3ccccc3)[nH]c2cc2[nH]c3ccccc3c12.
What is the InChIKey of N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine?
The InChIKey is ISJDBOMSZLHODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41FN8O2/c1-54(23-25-56-43-36-30-17-9-11-19-32(30)48-34(36)27-35-39(43)51-45(50-35)28-13-5-3-6-14-28)21-22-55(2)24-26-57-44-40-37(31-18-10-12-20-33(31)49-40)38(47)41-42(44)53-46(52-41)29-15-7-4-8-16-29/h3-20,27,48-49H,21-26H2,1-2H3,(H,50,51)(H,52,53).
What are the key properties of N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine?
N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine has a molecular weight of 756.89 g/mol, XLogP of 9.50, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-fluoro-2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-10-yl)oxy]ethyl]-N,N'-dimethyl-N-[2-[(2-phenyl-1,9-dihydroimidazo[4,5-b]carbazol-4-yl)oxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 156868512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).