5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole

C44H30F2N8O2 — CID 154592450

IUPAC5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
SMILESCn1ccnc1-c1cccc(Oc2ccc3c(c2)n(-c2cc(F)ccn2)c2c4ccc(Oc5cccc(-c6nccn6C)c5)cc4n(-c4cc(F)ccn4)c32)c1
InChIInChI=1S/C44H30F2N8O2/c1-51-19-17-49-43(51)27-5-3-7-31(21-27)55-33-9-11-35-37(25-33)53(39-23-29(45)13-15-47-39)42-36-12-10-34(26-38(36)54(41(35)42)40-24-30(46)14-16-48-40)56-32-8-4-6-28(22-32)44-50-18-20-52(44)2/h3-26H,1-2H3
InChIKeySEQIEOYUTVXTRN-UHFFFAOYSA-N
MW740.77 g/mol
LogP10.18
Rot. Bonds8

About 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole

5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole (PubChem CID 154592450) has the molecular formula C44H30F2N8O2 and a molecular weight of 740.77 g/mol. Its IUPAC name is 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole.

Molecular Properties

Compound Name5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
PubChem CID154592450
Molecular FormulaC44H30F2N8O2
Molecular Weight740.77 g/mol
Exact Mass740.25
IUPAC Name5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
SMILESCn1ccnc1-c1cccc(Oc2ccc3c(c2)n(-c2cc(F)ccn2)c2c4ccc(Oc5cccc(-c6nccn6C)c5)cc4n(-c4cc(F)ccn4)c32)c1
InChIInChI=1S/C44H30F2N8O2/c1-51-19-17-49-43(51)27-5-3-7-31(21-27)55-33-9-11-35-37(25-33)53(39-23-29(45)13-15-47-39)42-36-12-10-34(26-38(36)54(41(35)42)40-24-30(46)14-16-48-40)56-32-8-4-6-28(22-32)44-50-18-20-52(44)2/h3-26H,1-2H3
InChIKeySEQIEOYUTVXTRN-UHFFFAOYSA-N
XLogP10.18
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.77
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole with MolForge

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Related Compounds

3-[3-[4-(4-Fluorophenyl)pyrimidin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline
CID 118707953
7-[5-[[4-(4,4-Difluoropiperidin-1-yl)-2-ethylquinolin-7-yl]oxymethyl]-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156303994
7-[5-[(2-Pyrrolidin-1-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304017
N-[7-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-N'-methyl-N'-(5-phenylpentyl)ethane-1,2-diamine
CID 156304105
7-[5-[(2-ethyl-4-methylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-[(2S)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304111
7-[5-[(2-Ethyl-4-pyrrolidin-1-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304141
7-[5-[[2-(Azetidin-1-yl)-4-ethyl-5-fluoroquinolin-7-yl]oxymethyl]-3-pyridinyl]-5-(oxolan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304052
US11834453, Example 16
CID 162428782
US11834453, Example 380
CID 167318559
US11834453, Example 363
CID 167318884
2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-7-methoxy-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimido[4,5-b]indole
CID 170973137
2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[3-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimido[4,5-b]indole
CID 178254997

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole?
The IUPAC name of 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole (CID 154592450) is 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole.
What is the SMILES notation for 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole?
The canonical SMILES for 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole is Cn1ccnc1-c1cccc(Oc2ccc3c(c2)n(-c2cc(F)ccn2)c2c4ccc(Oc5cccc(-c6nccn6C)c5)cc4n(-c4cc(F)ccn4)c32)c1.
What is the InChIKey of 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole?
The InChIKey is SEQIEOYUTVXTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30F2N8O2/c1-51-19-17-49-43(51)27-5-3-7-31(21-27)55-33-9-11-35-37(25-33)53(39-23-29(45)13-15-47-39)42-36-12-10-34(26-38(36)54(41(35)42)40-24-30(46)14-16-48-40)56-32-8-4-6-28(22-32)44-50-18-20-52(44)2/h3-26H,1-2H3.
What are the key properties of 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole?
5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole has a molecular weight of 740.77 g/mol, XLogP of 10.18, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole is sourced from PubChem (CID 154592450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).