N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine

C46H44F4N8O2 — CID 126738910

IUPACN-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(NCCCN(C)C)c2c1[nH]c1ccc(F)cc12.COc1c2[nH]c3ccc(F)cc3c2c(NCCCN)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C24H24F2N4O.C22H20F2N4O/c1-30(2)10-4-9-27-21-19-15-11-13(25)5-7-17(15)28-22(19)24(31-3)23-20(21)16-12-14(26)6-8-18(16)29-23;1-29-22-20-17(13-9-11(23)3-5-15(13)27-20)19(26-8-2-7-25)18-14-10-12(24)4-6-16(14)28-21(18)22/h5-8,11-12,27-29H,4,9-10H2,1-3H3;3-6,9-10,26-28H,2,7-8,25H2,1H3
InChIKeyHRVJPAPNANKWDR-UHFFFAOYSA-N
MW816.90 g/mol
LogP10.61
Rot. Bonds11

About N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine

N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine (PubChem CID 126738910) has the molecular formula C46H44F4N8O2 and a molecular weight of 816.90 g/mol. Its IUPAC name is N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine
PubChem CID126738910
Molecular FormulaC46H44F4N8O2
Molecular Weight816.90 g/mol
Exact Mass816.35
IUPAC NameN-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(NCCCN(C)C)c2c1[nH]c1ccc(F)cc12.COc1c2[nH]c3ccc(F)cc3c2c(NCCCN)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C24H24F2N4O.C22H20F2N4O/c1-30(2)10-4-9-27-21-19-15-11-13(25)5-7-17(15)28-22(19)24(31-3)23-20(21)16-12-14(26)6-8-18(16)29-23;1-29-22-20-17(13-9-11(23)3-5-15(13)27-20)19(26-8-2-7-25)18-14-10-12(24)4-6-16(14)28-21(18)22/h5-8,11-12,27-29H,4,9-10H2,1-3H3;3-6,9-10,26-28H,2,7-8,25H2,1H3
InChIKeyHRVJPAPNANKWDR-UHFFFAOYSA-N
XLogP10.61
TPSA134.94 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.90
LogP ≤ 510.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine?
The IUPAC name of N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine (CID 126738910) is N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine.
What is the SMILES notation for N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine?
The canonical SMILES for N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine is COc1c2[nH]c3ccc(F)cc3c2c(NCCCN(C)C)c2c1[nH]c1ccc(F)cc12.COc1c2[nH]c3ccc(F)cc3c2c(NCCCN)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine?
The InChIKey is HRVJPAPNANKWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O.C22H20F2N4O/c1-30(2)10-4-9-27-21-19-15-11-13(25)5-7-17(15)28-22(19)24(31-3)23-20(21)16-12-14(26)6-8-18(16)29-23;1-29-22-20-17(13-9-11(23)3-5-15(13)27-20)19(26-8-2-7-25)18-14-10-12(24)4-6-16(14)28-21(18)22/h5-8,11-12,27-29H,4,9-10H2,1-3H3;3-6,9-10,26-28H,2,7-8,25H2,1H3.
What are the key properties of N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine?
N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine has a molecular weight of 816.90 g/mol, XLogP of 10.61, 11 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine is sourced from PubChem (CID 126738910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).