10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine

C54H16F44N2 — CID 162502997

IUPAC10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine
SMILESFc1c(F)c(N2c3ccccc3C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)c(F)c(F)c1-c1c(F)c(F)c(N2c3ccccc3C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)c(F)c1F
InChIInChI=1S/C54H16F44N2/c55-27-25(28(56)32(60)35(31(27)59)99-21-13-5-1-9-17(21)37(18-10-2-6-14-22(18)99,39(63,64)43(71,72)47(79,80)51(87,88)89)40(65,66)44(73,74)48(81,82)52(90,91)92)26-29(57)33(61)36(34(62)30(26)58)100-23-15-7-3-11-19(23)38(20-12-4-8-16-24(20)100,41(67,68)45(75,76)49(83,84)53(93,94)95)42(69,70)46(77,78)50(85,86)54(96,97)98/h1-16H
InChIKeyYGVJSXSCPFJOKS-UHFFFAOYSA-N
MW1528.65 g/mol
LogP22.48
Rot. Bonds15

About 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine

10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine (PubChem CID 162502997) has the molecular formula C54H16F44N2 and a molecular weight of 1528.65 g/mol. Its IUPAC name is 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine.

Molecular Properties

Compound Name10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine
PubChem CID162502997
Molecular FormulaC54H16F44N2
Molecular Weight1528.65 g/mol
Exact Mass1528.06
IUPAC Name10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine
SMILESFc1c(F)c(N2c3ccccc3C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)c(F)c(F)c1-c1c(F)c(F)c(N2c3ccccc3C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)c(F)c1F
InChIInChI=1S/C54H16F44N2/c55-27-25(28(56)32(60)35(31(27)59)99-21-13-5-1-9-17(21)37(18-10-2-6-14-22(18)99,39(63,64)43(71,72)47(79,80)51(87,88)89)40(65,66)44(73,74)48(81,82)52(90,91)92)26-29(57)33(61)36(34(62)30(26)58)100-23-15-7-3-11-19(23)38(20-12-4-8-16-24(20)100,41(67,68)45(75,76)49(83,84)53(93,94)95)42(69,70)46(77,78)50(85,86)54(96,97)98/h1-16H
InChIKeyYGVJSXSCPFJOKS-UHFFFAOYSA-N
XLogP22.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001528.65
LogP ≤ 522.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine?
The IUPAC name of 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine (CID 162502997) is 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine.
What is the SMILES notation for 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine?
The canonical SMILES for 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine is Fc1c(F)c(N2c3ccccc3C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)c(F)c(F)c1-c1c(F)c(F)c(N2c3ccccc3C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)c(F)c1F.
What is the InChIKey of 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine?
The InChIKey is YGVJSXSCPFJOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H16F44N2/c55-27-25(28(56)32(60)35(31(27)59)99-21-13-5-1-9-17(21)37(18-10-2-6-14-22(18)99,39(63,64)43(71,72)47(79,80)51(87,88)89)40(65,66)44(73,74)48(81,82)52(90,91)92)26-29(57)33(61)36(34(62)30(26)58)100-23-15-7-3-11-19(23)38(20-12-4-8-16-24(20)100,41(67,68)45(75,76)49(83,84)53(93,94)95)42(69,70)46(77,78)50(85,86)54(96,97)98/h1-16H.
What are the key properties of 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine?
10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine has a molecular weight of 1528.65 g/mol, XLogP of 22.48, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine is sourced from PubChem (CID 162502997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).