6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole

C54H24F10N4O2 — CID 140711380

IUPAC6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole
SMILESFc1c(F)c(F)c(-c2ccc3c(c2)c2cc(-c4cc5c6cc(-c7c(F)c(F)c(F)c(F)c7F)ccc6n(-c6ccc(-c7ccccc7)o6)c5cn4)ncc2n3-c2ccc(-c3ccccc3)o2)c(F)c1F
InChIInChI=1S/C54H24F10N4O2/c55-45-43(46(56)50(60)53(63)49(45)59)27-11-13-35-29(19-27)31-21-33(65-23-37(31)67(35)41-17-15-39(69-41)25-7-3-1-4-8-25)34-22-32-30-20-28(44-47(57)51(61)54(64)52(62)48(44)58)12-14-36(30)68(38(32)24-66-34)42-18-16-40(70-42)26-9-5-2-6-10-26/h1-24H
InChIKeyCXYHROBGPBWFBH-UHFFFAOYSA-N
MW950.79 g/mol
LogP15.58
Rot. Bonds7

About 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole

6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole (PubChem CID 140711380) has the molecular formula C54H24F10N4O2 and a molecular weight of 950.79 g/mol. Its IUPAC name is 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole
PubChem CID140711380
Molecular FormulaC54H24F10N4O2
Molecular Weight950.79 g/mol
Exact Mass950.17
IUPAC Name6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole
SMILESFc1c(F)c(F)c(-c2ccc3c(c2)c2cc(-c4cc5c6cc(-c7c(F)c(F)c(F)c(F)c7F)ccc6n(-c6ccc(-c7ccccc7)o6)c5cn4)ncc2n3-c2ccc(-c3ccccc3)o2)c(F)c1F
InChIInChI=1S/C54H24F10N4O2/c55-45-43(46(56)50(60)53(63)49(45)59)27-11-13-35-29(19-27)31-21-33(65-23-37(31)67(35)41-17-15-39(69-41)25-7-3-1-4-8-25)34-22-32-30-20-28(44-47(57)51(61)54(64)52(62)48(44)58)12-14-36(30)68(38(32)24-66-34)42-18-16-40(70-42)26-9-5-2-6-10-26/h1-24H
InChIKeyCXYHROBGPBWFBH-UHFFFAOYSA-N
XLogP15.58
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.79
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole with MolForge

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Related Compounds

3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole
CID 10152578
3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole
CID 10239365
2-[4-[4-[2-[4-[4-(4,7-Difluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-difluoro-1,3-benzoxazole
CID 57958500
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrafluoro-1,3-benzoxazole
CID 57958519
4,5,6,7-Tetrafluoro-2-[4-[4-[6-pyridin-2-yl-2-[4-[4-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 57958537
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrafluoro-1,3-benzoxazole
CID 57958546
2-[4-[4-[2-[4-[4-(5,6-Difluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-difluoro-1,3-benzoxazole
CID 57958574
5-[4-[3-[2-fluoro-4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]-N,N-diphenylfuran-2-amine
CID 68104218
3-[1-(1-Benzylpiperidin-3-yl)indol-3-yl]-4-(6-fluoro-1-benzofuran-7-yl)pyrrole-2,5-dione
CID 69400211
3-[1-[2-(2-Benzofuran-1-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole
CID 69834544
3-[1-[2-(2-Benzofuran-1-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole
CID 69834940
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049930

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole?
The IUPAC name of 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole (CID 140711380) is 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole.
What is the SMILES notation for 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole?
The canonical SMILES for 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole is Fc1c(F)c(F)c(-c2ccc3c(c2)c2cc(-c4cc5c6cc(-c7c(F)c(F)c(F)c(F)c7F)ccc6n(-c6ccc(-c7ccccc7)o6)c5cn4)ncc2n3-c2ccc(-c3ccccc3)o2)c(F)c1F.
What is the InChIKey of 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole?
The InChIKey is CXYHROBGPBWFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H24F10N4O2/c55-45-43(46(56)50(60)53(63)49(45)59)27-11-13-35-29(19-27)31-21-33(65-23-37(31)67(35)41-17-15-39(69-41)25-7-3-1-4-8-25)34-22-32-30-20-28(44-47(57)51(61)54(64)52(62)48(44)58)12-14-36(30)68(38(32)24-66-34)42-18-16-40(70-42)26-9-5-2-6-10-26/h1-24H.
What are the key properties of 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole?
6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole has a molecular weight of 950.79 g/mol, XLogP of 15.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5,6-pentafluorophenyl)-3-[6-(2,3,4,5,6-pentafluorophenyl)-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indol-3-yl]-9-(5-phenylfuran-2-yl)pyrido[3,4-b]indole is sourced from PubChem (CID 140711380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).